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

C14H24N4O — CID 63021596

IUPAC4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C14H24N4O/c1-10-8-11(15)4-5-12(10)14(19)18(3)9-13-16-6-7-17(13)2/h6-7,10-12H,4-5,8-9,15H2,1-3H3
InChIKeyZOTLFSNMFRQPCB-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.14
Rot. Bonds3

About 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide

4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (PubChem CID 63021596) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
PubChem CID63021596
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
SMILESCC1CC(N)CCC1C(=O)N(C)Cc1nccn1C
InChIInChI=1S/C14H24N4O/c1-10-8-11(15)4-5-12(10)14(19)18(3)9-13-16-6-7-17(13)2/h6-7,10-12H,4-5,8-9,15H2,1-3H3
InChIKeyZOTLFSNMFRQPCB-UHFFFAOYSA-N
XLogP1.14
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrrolidine-3-carboxamide
CID 63716496
N-methyl-N-[(1-methylimidazol-2-yl)methyl]piperidine-4-carboxamide
CID 54873646
4-methyl-1-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-3-carboxylic acid
CID 63722011
2-(azetidin-3-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 64612010
2-cyclopropyl-1-methyl-1-[(1-methylimidazol-2-yl)methyl]guanidine
CID 63025121
2-cyclopropyl-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]propanoic acid
CID 114990475
2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]cycloheptane-1-carboxylic acid
CID 55179736
4-amino-N-butyl-N,2-dimethylcyclohexane-1-carboxamide
CID 62781325
1-amino-3-ethoxy-N,2,2-trimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclobutane-1-carboxamide
CID 114828694
1-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 60962598
1-amino-2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]cyclopentane-1-carboxylic acid
CID 79564234
3-[cyclopropyl-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]propanoic acid
CID 63025549

Frequently Asked Questions

What is the IUPAC name of 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The IUPAC name of 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide (CID 63021596) is 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The canonical SMILES for 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is CC1CC(N)CCC1C(=O)N(C)Cc1nccn1C.
What is the InChIKey of 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
The InChIKey is ZOTLFSNMFRQPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10-8-11(15)4-5-12(10)14(19)18(3)9-13-16-6-7-17(13)2/h6-7,10-12H,4-5,8-9,15H2,1-3H3.
What are the key properties of 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide?
4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide has a molecular weight of 264.37 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 63021596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).