2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine

C13H23N3 — CID 43734275

IUPAC2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine
SMILESCCC(C)CNC1CCCC1n1ccnc1
InChIInChI=1S/C13H23N3/c1-3-11(2)9-15-12-5-4-6-13(12)16-8-7-14-10-16/h7-8,10-13,15H,3-6,9H2,1-2H3
InChIKeyUNECYHHVMJCSFI-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.61
Rot. Bonds5

About 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine

2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine (PubChem CID 43734275) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine.

Molecular Properties

Compound Name2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine
PubChem CID43734275
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine
SMILESCCC(C)CNC1CCCC1n1ccnc1
InChIInChI=1S/C13H23N3/c1-3-11(2)9-15-12-5-4-6-13(12)16-8-7-14-10-16/h7-8,10-13,15H,3-6,9H2,1-2H3
InChIKeyUNECYHHVMJCSFI-UHFFFAOYSA-N
XLogP2.61
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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine?
The IUPAC name of 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine (CID 43734275) is 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine.
What is the SMILES notation for 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine?
The canonical SMILES for 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine is CCC(C)CNC1CCCC1n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine?
The InChIKey is UNECYHHVMJCSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-11(2)9-15-12-5-4-6-13(12)16-8-7-14-10-16/h7-8,10-13,15H,3-6,9H2,1-2H3.
What are the key properties of 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine?
2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-(2-methylbutyl)cyclopentan-1-amine is sourced from PubChem (CID 43734275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).