1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol

C13H25N3O — CID 66174257

IUPAC1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCCCn1ccnc1
InChIInChI=1S/C13H25N3O/c1-12(2)9-13(3,17)10-14-5-4-7-16-8-6-15-11-16/h6,8,11-12,14,17H,4-5,7,9-10H2,1-3H3
InChIKeyWLNGLDNINLXKOL-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.66
Rot. Bonds8

About 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol

1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol (PubChem CID 66174257) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol
PubChem CID66174257
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCCCn1ccnc1
InChIInChI=1S/C13H25N3O/c1-12(2)9-13(3,17)10-14-5-4-7-16-8-6-15-11-16/h6,8,11-12,14,17H,4-5,7,9-10H2,1-3H3
InChIKeyWLNGLDNINLXKOL-UHFFFAOYSA-N
XLogP1.66
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.66
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-(3-imidazol-1-ylpropylamino)-2-methylpropane-1,2-diol
CID 66186936
3-(3-imidazol-1-ylpropylamino)-N,2,2-trimethylpropanamide
CID 114167351
2-(chloromethyl)-2-ethyl-N-(3-imidazol-1-ylpropyl)butan-1-amine
CID 106252494
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
methyl (2S)-3-(3-imidazol-1-ylpropylamino)-2-methylpropanoate
CID 94133695
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
2-hydroxy-3-(3-imidazol-1-ylpropylcarbamoylamino)-2-methylpropanoic acid
CID 66172623
3-imidazol-1-yl-N-(2-methylsulfanylethyl)propan-1-amine
CID 60685316
1-imidazol-1-yl-2,3-dimethylbutan-2-ol
CID 114447498
N-(2-hydroxy-2,3-dimethylbutyl)-4-imidazol-1-ylbutanamide
CID 111483635

Frequently Asked Questions

What is the IUPAC name of 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol (CID 66174257) is 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCCCn1ccnc1.
What is the InChIKey of 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is WLNGLDNINLXKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-12(2)9-13(3,17)10-14-5-4-7-16-8-6-15-11-16/h6,8,11-12,14,17H,4-5,7,9-10H2,1-3H3.
What are the key properties of 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol?
1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 239.36 g/mol, XLogP of 1.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-imidazol-1-ylpropylamino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 66174257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).