1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine

C15H27N3 — CID 79744907

IUPAC1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2nccn2C)CC1
InChIInChI=1S/C15H27N3/c1-12(2)13-5-4-7-15(16,8-6-13)11-14-17-9-10-18(14)3/h9-10,12-13H,4-8,11,16H2,1-3H3
InChIKeyPSLYJKFZIXMLFX-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds3

About 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine

1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine (PubChem CID 79744907) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
PubChem CID79744907
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine
SMILESCC(C)C1CCCC(N)(Cc2nccn2C)CC1
InChIInChI=1S/C15H27N3/c1-12(2)13-5-4-7-15(16,8-6-13)11-14-17-9-10-18(14)3/h9-10,12-13H,4-8,11,16H2,1-3H3
InChIKeyPSLYJKFZIXMLFX-UHFFFAOYSA-N
XLogP2.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-propan-2-ylcyclohexan-1-amine
CID 107449098
1-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63014800
1-[2-(1-methylimidazol-2-yl)ethyl]-4-propylcycloheptan-1-amine
CID 114529396
(1S)-1-cyclopentyl-N-[(1-methylimidazol-2-yl)methyl]ethanamine
CID 81386227
[2-(1-methylimidazol-2-yl)-1-(4-propan-2-ylcyclohexyl)ethyl]hydrazine
CID 105232616
1-cyclopentyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530015
1-[(1-ethylimidazol-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 79744545
1-[(1-methylimidazol-2-yl)methyl]-2-phenylcyclohexan-1-amine
CID 79744991
1-[(3-methylphenyl)methyl]-4-propan-2-ylcycloheptan-1-amine
CID 65086856
3,3,5-trimethyl-1-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79743892
[1-[(1-methylimidazol-2-yl)methyl]cyclopropyl]methanamine
CID 126971916
N-[(1-methylimidazol-2-yl)methyl]cyclobutanamine
CID 62415731

Frequently Asked Questions

What is the IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The IUPAC name of 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine (CID 79744907) is 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine.
What is the SMILES notation for 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The canonical SMILES for 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine is CC(C)C1CCCC(N)(Cc2nccn2C)CC1.
What is the InChIKey of 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
The InChIKey is PSLYJKFZIXMLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)13-5-4-7-15(16,8-6-13)11-14-17-9-10-18(14)3/h9-10,12-13H,4-8,11,16H2,1-3H3.
What are the key properties of 1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine?
1-[(1-methylimidazol-2-yl)methyl]-4-propan-2-ylcycloheptan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.90, 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]-4-propan-2-ylcycloheptan-1-amine is sourced from PubChem (CID 79744907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).