1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

C15H25N3O — CID 56828911

IUPAC1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CN(C)C(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C15H25N3O/c1-17-9-6-13(10-17)11-18(2)14(19)15(12-16)7-4-3-5-8-15/h13H,3-11H2,1-2H3
InChIKeyZCIDCOMGXIRELS-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.87
Rot. Bonds3

About 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide

1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 56828911) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
PubChem CID56828911
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
SMILESCN1CCC(CN(C)C(=O)C2(C#N)CCCCC2)C1
InChIInChI=1S/C15H25N3O/c1-17-9-6-13(10-17)11-18(2)14(19)15(12-16)7-4-3-5-8-15/h13H,3-11H2,1-2H3
InChIKeyZCIDCOMGXIRELS-UHFFFAOYSA-N
XLogP1.87
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclobutane-1-carboxamide
CID 115183353
1-cyano-N-(cyclobutylmethyl)-N-methylcyclohexane-1-carboxamide
CID 62862228
1-cyano-N-(cyclobutylmethyl)-N-methylcyclopentane-1-carboxamide
CID 62862227
1-amino-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide
CID 63273710
1-cyano-N-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]cyclobutane-1-carboxamide
CID 115183405
1-cyano-N-methyl-N-(1-methylpyrrolidin-3-yl)cyclobutane-1-carboxamide
CID 115183296
1-[methyl-[(1-methylpyrrolidin-3-yl)methyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 63275214
1-cyano-N-methyl-N-(1-methylpiperidin-3-yl)cyclobutane-1-carboxamide
CID 79005497
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]cyclohexane-1-carboxamide
CID 63236819
4-cyano-N-(cyclobutylmethyl)-N-methyloxane-4-carboxamide
CID 55126193
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]acetamide
CID 104678196
1-cyano-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylcyclohexane-1-carboxamide
CID 105417788

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide (CID 56828911) is 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is CN1CCC(CN(C)C(=O)C2(C#N)CCCCC2)C1.
What is the InChIKey of 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZCIDCOMGXIRELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-17-9-6-13(10-17)11-18(2)14(19)15(12-16)7-4-3-5-8-15/h13H,3-11H2,1-2H3.
What are the key properties of 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide?
1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 56828911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).