1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide

C16H27N3O — CID 105417788

IUPAC1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C16H27N3O/c1-18(2)16(10-7-11-16)13-19(3)14(20)15(12-17)8-5-4-6-9-15/h4-11,13H2,1-3H3
InChIKeyGAMORVHUWIZCGD-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.40
Rot. Bonds4

About 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide

1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide (PubChem CID 105417788) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
PubChem CID105417788
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
SMILESCN(CC1(N(C)C)CCC1)C(=O)C1(C#N)CCCCC1
InChIInChI=1S/C16H27N3O/c1-18(2)16(10-7-11-16)13-19(3)14(20)15(12-17)8-5-4-6-9-15/h4-11,13H2,1-3H3
InChIKeyGAMORVHUWIZCGD-UHFFFAOYSA-N
XLogP2.40
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide (CID 105417788) is 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide is CN(CC1(N(C)C)CCC1)C(=O)C1(C#N)CCCCC1.
What is the InChIKey of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide?
The InChIKey is GAMORVHUWIZCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-18(2)16(10-7-11-16)13-19(3)14(20)15(12-17)8-5-4-6-9-15/h4-11,13H2,1-3H3.
What are the key properties of 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide?
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide has a molecular weight of 277.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 105417788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).