1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine

C17H23N3 — CID 79744991

IUPAC1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine
SMILESCn1ccnc1CC1(N)CCCCC1c1ccccc1
InChIInChI=1S/C17H23N3/c1-20-12-11-19-16(20)13-17(18)10-6-5-9-15(17)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10,13,18H2,1H3
InChIKeyUAKMRAVZFFDUEE-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.02
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine

1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine (PubChem CID 79744991) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine
PubChem CID79744991
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine
SMILESCn1ccnc1CC1(N)CCCCC1c1ccccc1
InChIInChI=1S/C17H23N3/c1-20-12-11-19-16(20)13-17(18)10-6-5-9-15(17)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10,13,18H2,1H3
InChIKeyUAKMRAVZFFDUEE-UHFFFAOYSA-N
XLogP3.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-ol
CID 79734846
2,5-dimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744639
2-ethyl-1-[(1-ethylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744542
2-tert-butyl-1-[(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79744341
2-phenyl-1-(thiophen-3-ylmethyl)cyclohexan-1-amine
CID 62621060
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 79744907
1-(1-ethylimidazol-2-yl)-2-phenylcyclohexan-1-ol
CID 63974580
3-amino-1-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-ol
CID 80562581
1-[(1-methylpyrazol-3-yl)methyl]-2-phenylcyclohexan-1-ol
CID 82870077
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
2-methyl-1-[(1-methylimidazol-2-yl)methyl]cyclobutan-1-ol
CID 130555001
(5R,9R)-7-[(1-methylimidazol-2-yl)methyl]-9-phenyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124815931

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine (CID 79744991) is 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine is Cn1ccnc1CC1(N)CCCCC1c1ccccc1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine?
The InChIKey is UAKMRAVZFFDUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-20-12-11-19-16(20)13-17(18)10-6-5-9-15(17)14-7-3-2-4-8-14/h2-4,7-8,11-12,15H,5-6,9-10,13,18H2,1H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine?
1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 79744991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).