2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride

C13H24ClN3 — CID 115618877

IUPAC2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride
SMILESCCCCC1CCCC1NCc1ncc[nH]1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-2-3-5-11-6-4-7-12(11)16-10-13-14-8-9-15-13;/h8-9,11-12,16H,2-7,10H2,1H3,(H,14,15);1H
InChIKeyAOADJQXIIPWLSS-UHFFFAOYSA-N
MW257.81 g/mol
LogP3.28
Rot. Bonds6

About 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride

2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride (PubChem CID 115618877) has the molecular formula C13H24ClN3 and a molecular weight of 257.81 g/mol. Its IUPAC name is 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride.

Molecular Properties

Compound Name2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride
PubChem CID115618877
Molecular FormulaC13H24ClN3
Molecular Weight257.81 g/mol
Exact Mass257.17
IUPAC Name2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride
SMILESCCCCC1CCCC1NCc1ncc[nH]1.Cl
InChIInChI=1S/C13H23N3.ClH/c1-2-3-5-11-6-4-7-12(11)16-10-13-14-8-9-15-13;/h8-9,11-12,16H,2-7,10H2,1H3,(H,14,15);1H
InChIKeyAOADJQXIIPWLSS-UHFFFAOYSA-N
XLogP3.28
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1H-imidazol-2-ylmethyl)-2-propylcyclohexan-1-amine;hydrochloride
CID 115618879
trans-(1S,2S)-N-(1H-imidazol-2-ylmethyl)-2-methylcyclohexan-1-amine
CID 94247341
2-butyl-1H-imidazole;cyclohexane
CID 173413359
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
CID 65078294
2-butyl-1H-imidazole;hydrochloride
CID 141134528
N-ethyl-2-octylcyclopentan-1-amine
CID 63399748
cis-(1R,2R)-2-butyl-N-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)cyclopentan-1-amine
CID 97307179
N-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428515
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
CID 103700134
(2-butylcyclopentyl)carbamic acid
CID 142463044
2-(4-cyclohexyloctyl)-1H-imidazole
CID 70557419

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
The IUPAC name of 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride (CID 115618877) is 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride.
What is the SMILES notation for 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
The canonical SMILES for 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride is CCCCC1CCCC1NCc1ncc[nH]1.Cl.
What is the InChIKey of 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
The InChIKey is AOADJQXIIPWLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.ClH/c1-2-3-5-11-6-4-7-12(11)16-10-13-14-8-9-15-13;/h8-9,11-12,16H,2-7,10H2,1H3,(H,14,15);1H.
What are the key properties of 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride?
2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride has a molecular weight of 257.81 g/mol, XLogP of 3.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-(1H-imidazol-2-ylmethyl)cyclopentan-1-amine;hydrochloride is sourced from PubChem (CID 115618877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).