1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide

C13H22N4O — CID 60962598

IUPAC1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H22N4O/c1-16-9-8-15-11(16)10-17(2)12(18)13(14)6-4-3-5-7-13/h8-9H,3-7,10,14H2,1-2H3
InChIKeyKUJBQTCSQILWNT-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.04
Rot. Bonds3

About 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide

1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 60962598) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID60962598
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCN(Cc1nccn1C)C(=O)C1(N)CCCCC1
InChIInChI=1S/C13H22N4O/c1-16-9-8-15-11(16)10-17(2)12(18)13(14)6-4-3-5-7-13/h8-9H,3-7,10,14H2,1-2H3
InChIKeyKUJBQTCSQILWNT-UHFFFAOYSA-N
XLogP1.04
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-N-methylcyclohexane-1-carboxamide;dihydrochloride
CID 119853720
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 76985325
4-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]oxane-4-carboxamide
CID 63013244
1-[(Z)-N'-hydroxycarbamimidoyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclopropane-1-carboxamide
CID 80593803
2-[1-(aminomethyl)cyclobutyl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 81173284
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980175
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 114828694
1-amino-N-[2-(1-methylimidazol-2-yl)ethyl]cyclobutane-1-carboxamide
CID 81171638
1-[[methyl-[(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropan-1-amine
CID 65459116
1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564234
2-bromo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]propanamide
CID 107904600

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (CID 60962598) is 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is CN(Cc1nccn1C)C(=O)C1(N)CCCCC1.
What is the InChIKey of 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is KUJBQTCSQILWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-16-9-8-15-11(16)10-17(2)12(18)13(14)6-4-3-5-7-13/h8-9H,3-7,10,14H2,1-2H3.
What are the key properties of 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 60962598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).