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Chemical ID: 6360580
Chemical ID:
6360580
Name [?]:
N-cyclopentylcyclohexanecarboxamide
SMILES [?]:
C1CCC(CC1)C(=O)NC2CCCC2
InChi [?]:
InChI=1/C12H21NO/c14-12(10-6-2-1-3-7-10)13-11-8-4-5-9-11/h10-11H,1-9H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,4,10,7,9,8/E:(2,3)(4,5)(6,7)(8,9)/rA:14nCCCCCCCONCCCCC/rB:s1;s2;s3;s4;s1s5;s4;d7;s7;s9;s10;s11;s12;s10s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C12H21NO |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.14746 |
Area: | 379.697 |
Solvation: | -1.34496 |
Coulombic: | -21.9709 |
Bond Count [?]
All: | 15 |
Single: | 14 |
Double: | 1 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 195.301 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.88 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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