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Chemical ID: 4432172
Chemical ID:
4432172
Name [?]:
N,N-diisobutylnorbornane-2-carboxamide
SMILES [?]:
CC(C)CN(CC(C)C)C(=O)C1CC2CCC1C2
InChi [?]:
InChI=1/C16H29NO/c1-11(2)9-17(10-12(3)4)16(18)15-8-13-5-6-14(15)7-13/h11-15H,5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,8,9,15,16,18,13,4,6,2,7,14,17,12,10,5,11/E:(1,2,3,4)(9,10)(11,12)/rA:18cCCCCNCCCCCOCCCCCCC/rB:s1;s2;s2;s4;s5;s6;s7;s7;s5;d10;s10;s12;s13;s14;s15;s12s16;s14s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H29NO |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 9.66858 |
Area: | 438.637 |
Solvation: | -1.29735 |
Coulombic: | -18.2665 |
Bond Count [?]
All: | 19 |
Single: | 18 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 251.408 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 4.03 |
LogP (Chemaxon): | 3.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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