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Chemical ID: 5178125
Chemical ID:
5178125
Name [?]:
N-[3-[2-(aminomethyl)cyclohexyl]propyl]acetamide
SMILES [?]:
CC(=O)NCCCC1CCCCC1CN
InChi [?]:
InChI=1/C12H24N2O/c1-10(15)14-8-4-7-11-5-2-3-6-12(11)9-13/h11-12H,2-9,13H2,1H3,(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,10,11,6,9,12,7,5,14,2,8,13,15,4,3/rA:15cCCONCCCCCCCCCCN/rB:s1;d2;s2;s4;s5;s6;s7;s8;s9;s10;s11;s8s12;s13;s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H24N2O |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.58091 |
Area: | 424.485 |
Solvation: | -2.03122 |
Coulombic: | -33.0191 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 212.332 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 1.97 |
LogP (Chemaxon): | 0.74 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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