N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine

C13H23N3 — CID 106572877

IUPACN-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
SMILESCCCCNc1nccn1C1CCCC1C
InChIInChI=1S/C13H23N3/c1-3-4-8-14-13-15-9-10-16(13)12-7-5-6-11(12)2/h9-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyDBDOCPHZYRYEBM-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.46
Rot. Bonds5

About N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine

N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine (PubChem CID 106572877) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine.

Molecular Properties

Compound NameN-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
PubChem CID106572877
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-butyl-1-(2-methylcyclopentyl)imidazol-2-amine
SMILESCCCCNc1nccn1C1CCCC1C
InChIInChI=1S/C13H23N3/c1-3-4-8-14-13-15-9-10-16(13)12-7-5-6-11(12)2/h9-12H,3-8H2,1-2H3,(H,14,15)
InChIKeyDBDOCPHZYRYEBM-UHFFFAOYSA-N
XLogP3.46
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-1-(2-methylcyclohexyl)imidazol-2-amine
CID 106558945
N-butyl-1-cyclobutylimidazol-2-amine
CID 106571396
1-(2-bicyclo[2.2.1]heptanyl)-N-butylimidazol-2-amine
CID 106575467
N-butyl-1-(3-methylcyclohexyl)imidazol-2-amine
CID 106561726
N-butyl-1-(3-methylcyclobutyl)imidazol-2-amine
CID 106581425
N-butyl-1-(1-propylpiperidin-4-yl)imidazol-2-amine
CID 106568401
1-cyclopropyl-N-propylimidazol-2-amine
CID 106554744
1-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-N-propylimidazol-2-amine
CID 106567867
1-(1-azabicyclo[2.2.2]octan-3-yl)-N-propylimidazol-2-amine
CID 106559035
N-(3-ethoxypropyl)-1-(3-methylcyclopentyl)imidazol-2-amine
CID 106581840
1-cycloheptyl-N-(3-ethoxypropyl)imidazol-2-amine
CID 106561258
N-butyl-1-[2-(4-methylcyclohexyl)ethyl]imidazol-2-amine
CID 106574296

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine?
The IUPAC name of N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine (CID 106572877) is N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine.
What is the SMILES notation for N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine?
The canonical SMILES for N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine is CCCCNc1nccn1C1CCCC1C.
What is the InChIKey of N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine?
The InChIKey is DBDOCPHZYRYEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-4-8-14-13-15-9-10-16(13)12-7-5-6-11(12)2/h9-12H,3-8H2,1-2H3,(H,14,15).
What are the key properties of N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine?
N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine has a molecular weight of 221.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-(2-methylcyclopentyl)imidazol-2-amine is sourced from PubChem (CID 106572877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).