N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine

C14H25N3 — CID 114997045

IUPACN-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-3-11(2)15-10-14-16-9-13(17-14)12-7-5-4-6-8-12/h9,11-12,15H,3-8,10H2,1-2H3,(H,16,17)
InChIKeyHQWOZGSWFQAUGQ-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.35
Rot. Bonds5

About N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine

N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine (PubChem CID 114997045) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine.

Molecular Properties

Compound NameN-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine
PubChem CID114997045
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine
SMILESCCC(C)NCc1ncc(C2CCCCC2)[nH]1
InChIInChI=1S/C14H25N3/c1-3-11(2)15-10-14-16-9-13(17-14)12-7-5-4-6-8-12/h9,11-12,15H,3-8,10H2,1-2H3,(H,16,17)
InChIKeyHQWOZGSWFQAUGQ-UHFFFAOYSA-N
XLogP3.35
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-cyclopentyl-1H-imidazol-2-yl)methyl]propan-1-amine
CID 114998469
5-(2-ethyl-1H-imidazol-5-yl)-N-phosphanylcyclononan-1-amine
CID 123292671
2-(5-cyclohexyl-1H-imidazol-2-yl)ethanethiol
CID 116879366
1-(5-cyclopentyl-1H-imidazol-2-yl)-2-methylpropan-2-amine
CID 116876890
methyl 3-(5-cyclohexyl-1H-imidazol-2-yl)propanoate
CID 116880459
5-cyclohexyl-2-methoxy-1H-imidazole
CID 116883780
N-[[5-(5-methylfuran-2-yl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 54925298
(5-cyclopropyl-1H-imidazol-2-yl)methanol
CID 105427977
N-[[5-(2,4,5-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 62795802
N-[[5-(2,4,6-trimethylphenyl)-1H-imidazol-2-yl]methyl]butan-2-amine
CID 60852316
N-[(2-cyclooctyl-1H-imidazol-5-yl)methyl]propan-2-amine
CID 80611681
N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine
CID 114995759

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine?
The IUPAC name of N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine (CID 114997045) is N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine.
What is the SMILES notation for N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine?
The canonical SMILES for N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine is CCC(C)NCc1ncc(C2CCCCC2)[nH]1.
What is the InChIKey of N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine?
The InChIKey is HQWOZGSWFQAUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-11(2)15-10-14-16-9-13(17-14)12-7-5-4-6-8-12/h9,11-12,15H,3-8,10H2,1-2H3,(H,16,17).
What are the key properties of N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine?
N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine has a molecular weight of 235.38 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclohexyl-1H-imidazol-2-yl)methyl]butan-2-amine is sourced from PubChem (CID 114997045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).