1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide

C16H26N2O — CID 64749228

IUPAC1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCC1CCCC(NC(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C16H26N2O/c1-2-13-7-6-8-14(11-13)18-15(19)16(12-17)9-4-3-5-10-16/h13-14H,2-11H2,1H3,(H,18,19)
InChIKeyIBKUUMUXXGIZDK-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.55
Rot. Bonds3

About 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide

1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide (PubChem CID 64749228) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide
PubChem CID64749228
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide
SMILESCCC1CCCC(NC(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C16H26N2O/c1-2-13-7-6-8-14(11-13)18-15(19)16(12-17)9-4-3-5-10-16/h13-14H,2-11H2,1H3,(H,18,19)
InChIKeyIBKUUMUXXGIZDK-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyano-N-(3-ethylcyclohexyl)cyclopentane-1-carboxamide
CID 64749617
1-cyano-N-cyclooctylcyclopentane-1-carboxamide
CID 29240923
1-cyano-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 115671011
1-cyano-N-(3-ethylsulfanylcyclopentyl)cyclobutane-1-carboxamide
CID 103709508
1-cyano-N-(2-methyloxan-4-yl)cyclohexane-1-carboxamide
CID 113346655
2-cyano-N-(3-ethylcyclohexyl)acetamide
CID 64748833
1-cyano-N-(1-propylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 61476262
1-cyano-N-(1-oxothian-4-yl)cyclohexane-1-carboxamide
CID 115886715
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
1-[[(3-ethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 65105949
1-cyano-N-(4-methylcyclohexyl)cyclobutane-1-carboxamide
CID 78994982
1-cyano-N-(cyclohexylmethyl)cyclohexane-1-carboxamide
CID 61459262

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide (CID 64749228) is 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide is CCC1CCCC(NC(=O)C2(C#N)CCCCC2)C1.
What is the InChIKey of 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is IBKUUMUXXGIZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-2-13-7-6-8-14(11-13)18-15(19)16(12-17)9-4-3-5-10-16/h13-14H,2-11H2,1H3,(H,18,19).
What are the key properties of 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide?
1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 262.40 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethylcyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 64749228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).