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Chemical ID: 5599161
Chemical ID:
5599161
Name [?]:
trimethyl-(3-norbornan-2-ylcarbonylaminopropyl)ammonium
SMILES [?]:
C[N+](C)(C)CCCNC(=O)C1CC2CCC1C2
InChi [?]:
InChI=1/C14H26N2O/c1-16(2,3)8-4-7-15-14(17)13-10-11-5-6-12(13)9-11/h11-13H,4-10H2,1-3H3/p+1
InChi Info:
AuxInfo=1/5/N:1,3,4,6,14,15,7,5,17,12,13,16,11,9,8,2,10/E:(1,2,3)/CRV:16+1,17-1/rA:17cCN+CCCCCNCOCCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s13s16;/rC:;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H27N2O+ |
All Atoms: | 17 |
Heavy Atoms: | 17 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | -19.6491 |
Area: | 441.646 |
Solvation: | -30.6903 |
Coulombic: | 4.21372 |
Bond Count [?]
All: | 18 |
Single: | 17 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 239.377 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 0.67 |
LogP (Chemaxon): | -3.69 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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