1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide

C15H26N2O — CID 65043719

IUPAC1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H26N2O/c1-4-15(5-2,6-3)17-13(18)14(12-16)10-8-7-9-11-14/h4-11H2,1-3H3,(H,17,18)
InChIKeyPSWJRWSXHPODQK-UHFFFAOYSA-N
MW250.39 g/mol
LogP3.55
Rot. Bonds5

About 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide

1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide (PubChem CID 65043719) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
PubChem CID65043719
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H26N2O/c1-4-15(5-2,6-3)17-13(18)14(12-16)10-8-7-9-11-14/h4-11H2,1-3H3,(H,17,18)
InChIKeyPSWJRWSXHPODQK-UHFFFAOYSA-N
XLogP3.55
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide (CID 65043719) is 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide is CCC(CC)(CC)NC(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide?
The InChIKey is PSWJRWSXHPODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-4-15(5-2,6-3)17-13(18)14(12-16)10-8-7-9-11-14/h4-11H2,1-3H3,(H,17,18).
What are the key properties of 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide?
1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide has a molecular weight of 250.39 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(3-ethylpentan-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 65043719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).