Chemical ID: 4686181

CC(C)(C)OC(=O)NC1CCN(C1)Cc2ccccc2
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

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