2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine

C15H27N3 — CID 114528631

IUPAC2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CCc1nccn1C
InChIInChI=1S/C15H27N3/c1-3-10-16-14-7-5-4-6-13(14)8-9-15-17-11-12-18(15)2/h11-14,16H,3-10H2,1-2H3
InChIKeyAQHVYAYGHRNZRR-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.91
Rot. Bonds6

About 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine

2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine (PubChem CID 114528631) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
PubChem CID114528631
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine
SMILESCCCNC1CCCCC1CCc1nccn1C
InChIInChI=1S/C15H27N3/c1-3-10-16-14-7-5-4-6-13(14)8-9-15-17-11-12-18(15)2/h11-14,16H,3-10H2,1-2H3
InChIKeyAQHVYAYGHRNZRR-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-amine
CID 61214730
2-ethyl-N-[(1-methylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 61466819
2-[2-(2-chlorocyclohexyl)ethyl]-1-methylimidazole
CID 114531139
N-ethyl-2-[(1-methylimidazol-2-yl)methyl]cyclopentan-1-amine
CID 79761914
N-[2-(1-methylimidazol-2-yl)ethyl]cyclooctanamine
CID 61214993
2-methoxy-N-[2-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 114527587
N-[[4-ethyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexyl]methyl]propan-1-amine
CID 114533031
2-(1-methylimidazol-2-yl)sulfanyl-N-propylcyclooctan-1-amine
CID 64622142
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61214414
4-methyl-2-[2-(1-methylimidazol-2-yl)ethyl]cyclohexan-1-ol
CID 114531125
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 78928226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine?
The IUPAC name of 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine (CID 114528631) is 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine.
What is the SMILES notation for 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine?
The canonical SMILES for 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine is CCCNC1CCCCC1CCc1nccn1C.
What is the InChIKey of 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine?
The InChIKey is AQHVYAYGHRNZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-3-10-16-14-7-5-4-6-13(14)8-9-15-17-11-12-18(15)2/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine?
2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine has a molecular weight of 249.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylimidazol-2-yl)ethyl]-N-propylcyclohexan-1-amine is sourced from PubChem (CID 114528631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).