1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide

C15H27N3O — CID 102978850

IUPAC1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H27N3O/c1-4-18(12-8-11-17(2)3)14(19)15(13-16)9-6-5-7-10-15/h4-12H2,1-3H3
InChIKeyQCXSCENOUPRUFD-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.26
Rot. Bonds6

About 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide

1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide (PubChem CID 102978850) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
PubChem CID102978850
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide
SMILESCCN(CCCN(C)C)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C15H27N3O/c1-4-18(12-8-11-17(2)3)14(19)15(13-16)9-6-5-7-10-15/h4-12H2,1-3H3
InChIKeyQCXSCENOUPRUFD-UHFFFAOYSA-N
XLogP2.26
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N,N-diethylcyclohexane-1-carboxamide
CID 61459029
1-cyano-N,N-diethylcyclopentane-1-carboxamide
CID 60678242
1-cyano-N-(2-cyanoethyl)-N-ethylcyclobutane-1-carboxamide
CID 80599118
1-cyano-N,N-dipropylcyclopentane-1-carboxamide
CID 60719042
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 78994668
1-cyano-N-methyl-N-propylcycloheptane-1-carboxamide
CID 55207638
N-butyl-1-cyano-N-ethyl-3-methylcyclobutane-1-carboxamide
CID 80502268
1-cyano-N-ethyl-N-(2-hydroxy-2-methylpropyl)cyclobutane-1-carboxamide
CID 79487122
1-cyano-N-ethyl-N-(2-methoxyethyl)cyclopropane-1-carboxamide
CID 80599346
2-[(1-cyanocyclopentanecarbonyl)-propylamino]acetic acid
CID 120613726
1-cyano-N-[2-(dimethylamino)-2-oxoethyl]-N-ethylcyclopropane-1-carboxamide
CID 80598252
4-cyano-N-ethyl-N-(2-hydroxyethyl)oxane-4-carboxamide
CID 55207999

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide (CID 102978850) is 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide is CCN(CCCN(C)C)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
The InChIKey is QCXSCENOUPRUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-4-18(12-8-11-17(2)3)14(19)15(13-16)9-6-5-7-10-15/h4-12H2,1-3H3.
What are the key properties of 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide?
1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 2.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[3-(dimethylamino)propyl]-N-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 102978850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).