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

C13H23N3 — CID 114995759

IUPACN-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine
SMILESCCC(C)c1cnc(CNC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1-3-10(2)12-8-15-13(16-12)9-14-11-6-4-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyTUHFUERVEOMHBI-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.96
Rot. Bonds5

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

N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine (PubChem CID 114995759) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine
PubChem CID114995759
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC NameN-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine
SMILESCCC(C)c1cnc(CNC2CCCC2)[nH]1
InChIInChI=1S/C13H23N3/c1-3-10(2)12-8-15-13(16-12)9-14-11-6-4-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyTUHFUERVEOMHBI-UHFFFAOYSA-N
XLogP2.96
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine?
The IUPAC name of N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine (CID 114995759) is N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine.
What is the SMILES notation for N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine?
The canonical SMILES for N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine is CCC(C)c1cnc(CNC2CCCC2)[nH]1.
What is the InChIKey of N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine?
The InChIKey is TUHFUERVEOMHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-3-10(2)12-8-15-13(16-12)9-14-11-6-4-5-7-11/h8,10-11,14H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine?
N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine has a molecular weight of 221.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-butan-2-yl-1H-imidazol-2-yl)methyl]cyclopentanamine is sourced from PubChem (CID 114995759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).