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Chemical ID: 4686181
Chemical ID:
4686181
Name [?]:
tert-butyl (1-benzylpyrrolidin-3-yl)aminoformate
SMILES [?]:
CC(C)(C)OC(=O)NC1CCN(C1)Cc2ccccc2
InChi [?]:
InChI=1/C16H24N2O2/c1-16(2,3)20-15(19)17-14-9-10-18(12-14)11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,17,19)
InChi Info:
AuxInfo=1/1/N:1,3,4,18,17,19,16,20,10,11,14,13,15,9,6,2,8,12,7,5/E:(1,2,3)(5,6)(7,8)/rA:20cCCCCOCONCCCNCCCCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;s10;s11;s9s12;s12;s14;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H24N2O2 |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 10.1749 |
Area: | 492.299 |
Solvation: | -2.13252 |
Coulombic: | -40.3752 |
Bond Count [?]
All: | 21 |
Single: | 17 |
Double: | 4 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 276.374 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.93 |
LogP (Chemaxon): | 2.37 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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