1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol

C15H27N3O — CID 103157604

IUPAC1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
SMILESOC(CNCCCCn1ccnc1)CC1CCCC1
InChIInChI=1S/C15H27N3O/c19-15(11-14-5-1-2-6-14)12-16-7-3-4-9-18-10-8-17-13-18/h8,10,13-16,19H,1-7,9,11-12H2
InChIKeyBPWNGDDWKBVDSX-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.19
Rot. Bonds9

About 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol

1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol (PubChem CID 103157604) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol.

Molecular Properties

Compound Name1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
PubChem CID103157604
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol
SMILESOC(CNCCCCn1ccnc1)CC1CCCC1
InChIInChI=1S/C15H27N3O/c19-15(11-14-5-1-2-6-14)12-16-7-3-4-9-18-10-8-17-13-18/h8,10,13-16,19H,1-7,9,11-12H2
InChIKeyBPWNGDDWKBVDSX-UHFFFAOYSA-N
XLogP2.19
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-cyclopentyl-N-(3-imidazol-1-ylpropyl)propan-1-amine
CID 114136924
4-imidazol-1-yl-N-(piperidin-3-ylmethyl)butan-1-amine
CID 80555259
N-[(3-chlorocyclohexyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 106122739
1-(4-imidazol-1-ylbutylamino)-3-(2-methoxyethoxy)propan-2-ol
CID 106989768
1-cyclopentyl-3-[2-(triazol-1-yl)ethylamino]propan-2-ol
CID 103158278
1-cyclopentyl-3-(3-hydroxypropylamino)propan-2-ol
CID 103157277
N-[(3,3-difluorocyclopentyl)methyl]-4-imidazol-1-ylbutan-1-amine
CID 114223797
1-cyclopentyl-3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propan-2-ol
CID 103158404
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
N-(4-imidazol-1-ylbutyl)-2-piperidin-3-ylacetamide
CID 62691425
(2R)-1-(3,5-dimethylphenoxy)-3-(3-imidazol-1-ylpropylamino)propan-2-ol
CID 25421946
(3R)-3-amino-4-cyclohexyl-2-hydroxy-N-(3-imidazol-1-ylpropanoyl)butanamide
CID 70065036

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol?
The IUPAC name of 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol (CID 103157604) is 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol.
What is the SMILES notation for 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol?
The canonical SMILES for 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol is OC(CNCCCCn1ccnc1)CC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol?
The InChIKey is BPWNGDDWKBVDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c19-15(11-14-5-1-2-6-14)12-16-7-3-4-9-18-10-8-17-13-18/h8,10,13-16,19H,1-7,9,11-12H2.
What are the key properties of 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol?
1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(4-imidazol-1-ylbutylamino)propan-2-ol is sourced from PubChem (CID 103157604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).