3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine

C14H25N3 — CID 114136924

IUPAC3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
SMILESc1cn(CCCNCCCC2CCCC2)cn1
InChIInChI=1S/C14H25N3/c1-2-6-14(5-1)7-3-8-15-9-4-11-17-12-10-16-13-17/h10,12-15H,1-9,11H2
InChIKeyJOGUVFMNOPDLTE-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.83
Rot. Bonds8

About 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine

3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine (PubChem CID 114136924) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
PubChem CID114136924
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
SMILESc1cn(CCCNCCCC2CCCC2)cn1
InChIInChI=1S/C14H25N3/c1-2-6-14(5-1)7-3-8-15-9-4-11-17-12-10-16-13-17/h10,12-15H,1-9,11H2
InChIKeyJOGUVFMNOPDLTE-UHFFFAOYSA-N
XLogP2.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.83
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-(3-imidazol-1-ylpropyl)-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 61494653
N-[(3-chlorocyclohexyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 106122739
1-(3-cyclopentylpropyl)-3-(2-imidazol-1-ylethyl)-2-methylguanidine
CID 111946359
1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
CID 103157604
1-[8-(2-cyclohexylethoxy)octyl]imidazole
CID 54118364
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
3-cyclopentyl-N-(2-imidazol-1-ylethyl)propanamide
CID 47020069
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
6-cyclohexyl-1-imidazol-1-ylhexan-2-ol
CID 21415122
N-[(4-cyclopropylphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 79978907
N-(2-bicyclo[2.2.1]heptanylmethyl)-3-imidazol-1-ylpropan-1-amine
CID 63683145

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine?
The IUPAC name of 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine (CID 114136924) is 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine.
What is the SMILES notation for 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine?
The canonical SMILES for 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine is c1cn(CCCNCCCC2CCCC2)cn1.
What is the InChIKey of 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine?
The InChIKey is JOGUVFMNOPDLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-6-14(5-1)7-3-8-15-9-4-11-17-12-10-16-13-17/h10,12-15H,1-9,11H2.
What are the key properties of 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine?
3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine is sourced from PubChem (CID 114136924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).