N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine

C17H25N3 — CID 80693050

IUPACN-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCCCn2cnc3ccccc32)C1
InChIInChI=1S/C17H25N3/c1-17(2)9-8-14(12-17)18-10-5-11-20-13-19-15-6-3-4-7-16(15)20/h3-4,6-7,13-14,18H,5,8-12H2,1-2H3
InChIKeyARTBFIOBEURZLS-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.59
Rot. Bonds5

About N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine

N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine (PubChem CID 80693050) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine
PubChem CID80693050
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine
SMILESCC1(C)CCC(NCCCn2cnc3ccccc32)C1
InChIInChI=1S/C17H25N3/c1-17(2)9-8-14(12-17)18-10-5-11-20-13-19-15-6-3-4-7-16(15)20/h3-4,6-7,13-14,18H,5,8-12H2,1-2H3
InChIKeyARTBFIOBEURZLS-UHFFFAOYSA-N
XLogP3.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.59
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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Frequently Asked Questions

What is the IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine (CID 80693050) is N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine is CC1(C)CCC(NCCCn2cnc3ccccc32)C1.
What is the InChIKey of N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine?
The InChIKey is ARTBFIOBEURZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-17(2)9-8-14(12-17)18-10-5-11-20-13-19-15-6-3-4-7-16(15)20/h3-4,6-7,13-14,18H,5,8-12H2,1-2H3.
What are the key properties of N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine?
N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(benzimidazol-1-yl)propyl]-3,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 80693050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).