[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone

C12H19N3O — CID 116592298

IUPAC[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C12H19N3O/c1-15-7-6-14-12(15)11(16)10-4-2-9(8-13)3-5-10/h6-7,9-10H,2-5,8,13H2,1H3
InChIKeyBORJWCHUCRZNDP-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.37
Rot. Bonds3

About [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone

[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone (PubChem CID 116592298) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone.

Molecular Properties

Compound Name[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
PubChem CID116592298
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone
SMILESCn1ccnc1C(=O)C1CCC(CN)CC1
InChIInChI=1S/C12H19N3O/c1-15-7-6-14-12(15)11(16)10-4-2-9(8-13)3-5-10/h6-7,9-10H,2-5,8,13H2,1H3
InChIKeyBORJWCHUCRZNDP-UHFFFAOYSA-N
XLogP1.37
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(aminomethyl)oxolan-2-yl]-(1-methylimidazol-2-yl)methanone
CID 116589054
[4-(1-methylimidazol-2-yl)cyclohexyl]methanamine
CID 130002884
9-azabicyclo[3.3.1]nonan-3-yl-(1-methylimidazol-2-yl)methanone
CID 171937463
(2-methylcyclopropyl)-(1-methylimidazol-2-yl)methanone
CID 60659997
(3R)-N-(cyclohexylmethyl)-3-(1-methylimidazole-2-carbonyl)piperidine-1-carboxamide
CID 126453049
[1-(1-methylimidazol-2-yl)piperidin-4-yl]methanamine
CID 62132388
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(1-methylimidazol-2-yl)methanone
CID 114960513
[4-(aminomethyl)cyclohexyl]-(6-methyl-3-pyridinyl)methanone
CID 116592296
(2,2-dimethylcyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 107186965
(9-benzyl-9-azabicyclo[3.3.1]nonan-3-yl)-(1-methylimidazol-2-yl)methanone
CID 171937465
N-cyclopentyl-1-methylimidazole-2-carboxamide
CID 78994269
(1-methylimidazol-2-yl)-[1-(2-phenylethyl)piperidin-3-yl]methanone
CID 171914388

Frequently Asked Questions

What is the IUPAC name of [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone?
The IUPAC name of [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone (CID 116592298) is [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone.
What is the SMILES notation for [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone?
The canonical SMILES for [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone is Cn1ccnc1C(=O)C1CCC(CN)CC1.
What is the InChIKey of [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone?
The InChIKey is BORJWCHUCRZNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-7-6-14-12(15)11(16)10-4-2-9(8-13)3-5-10/h6-7,9-10H,2-5,8,13H2,1H3.
What are the key properties of [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone?
[4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethyl)cyclohexyl]-(1-methylimidazol-2-yl)methanone is sourced from PubChem (CID 116592298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).