2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine

C10H17N3 — CID 115690231

IUPAC2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESc1ncc(CNCCC2CCC2)[nH]1
InChIInChI=1S/C10H17N3/c1-2-9(3-1)4-5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyLVQQFDFTPPHIFG-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.69
Rot. Bonds5

About 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine

2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine (PubChem CID 115690231) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
PubChem CID115690231
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine
SMILESc1ncc(CNCCC2CCC2)[nH]1
InChIInChI=1S/C10H17N3/c1-2-9(3-1)4-5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13)
InChIKeyLVQQFDFTPPHIFG-UHFFFAOYSA-N
XLogP1.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115639457
N-(1H-imidazol-5-ylmethyl)-2-pyrrolidin-1-ylethanamine
CID 62761735
3-fluoro-N-(1H-imidazol-5-ylmethyl)propan-1-amine
CID 115733016
N-(1H-imidazol-5-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 62763210
2-cyclobutyl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 115732773
N-[2-(1H-imidazol-5-ylmethylamino)ethyl]-2,2-dimethylpropanamide
CID 115615526
N-(1H-imidazol-5-ylmethyl)-1-(3-methylcyclopentyl)methanamine
CID 107411694
N-cyclopropyl-4-(1H-imidazol-5-ylmethylamino)butanamide
CID 78921180
4-tert-butyl-N-[2-(1H-imidazol-5-yl)ethyl]cyclohexan-1-amine
CID 65230583
N-(1H-imidazol-5-ylmethyl)-1-(thian-2-yl)methanamine
CID 80596485
1-(4-cyclopropylphenyl)-N-(1H-imidazol-5-ylmethyl)methanamine
CID 79984096
N-(1H-imidazol-5-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428555

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine?
The IUPAC name of 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine (CID 115690231) is 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine?
The canonical SMILES for 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine is c1ncc(CNCCC2CCC2)[nH]1.
What is the InChIKey of 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine?
The InChIKey is LVQQFDFTPPHIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-2-9(3-1)4-5-11-6-10-7-12-8-13-10/h7-9,11H,1-6H2,(H,12,13).
What are the key properties of 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine?
2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine has a molecular weight of 179.27 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-N-(1H-imidazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 115690231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).