4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol

C13H25N3O — CID 106348786

IUPAC4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
SMILESCCCn1cncc1CNC(CCO)C(C)C
InChIInChI=1S/C13H25N3O/c1-4-6-16-10-14-8-12(16)9-15-13(5-7-17)11(2)3/h8,10-11,13,15,17H,4-7,9H2,1-3H3
InChIKeyUMERLKFPWMHEDP-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.79
Rot. Bonds8

About 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol

4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol (PubChem CID 106348786) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol.

Molecular Properties

Compound Name4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
PubChem CID106348786
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol
SMILESCCCn1cncc1CNC(CCO)C(C)C
InChIInChI=1S/C13H25N3O/c1-4-6-16-10-14-8-12(16)9-15-13(5-7-17)11(2)3/h8,10-11,13,15,17H,4-7,9H2,1-3H3
InChIKeyUMERLKFPWMHEDP-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
4-methyl-3-[(1-propylpyrrol-2-yl)methylamino]pentan-1-ol
CID 106348680
methyl (2S)-3-methyl-2-[(3-propylimidazol-4-yl)methylamino]butanoate
CID 66130342
(1S)-N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405734
N-[(3-propylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 66133954
3-[(3-ethylimidazol-4-yl)methylamino]-4,4-dimethylpentan-1-ol
CID 106348886
4-methyl-3-[(2-propylpyrazol-3-yl)methylamino]pentan-1-ol
CID 106348790
2-phenyl-2-[(3-propylimidazol-4-yl)methylamino]ethanol
CID 66130986
1-cyclopropyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130194
1-(4-methylphenyl)-N-[(3-propylimidazol-4-yl)methyl]ethanamine
CID 66130561
1-(4-fluorophenyl)-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130587
1-phenyl-N-[(3-propylimidazol-4-yl)methyl]propan-2-amine
CID 66130984

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol?
The IUPAC name of 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol (CID 106348786) is 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol.
What is the SMILES notation for 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol?
The canonical SMILES for 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol is CCCn1cncc1CNC(CCO)C(C)C.
What is the InChIKey of 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol?
The InChIKey is UMERLKFPWMHEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-6-16-10-14-8-12(16)9-15-13(5-7-17)11(2)3/h8,10-11,13,15,17H,4-7,9H2,1-3H3.
What are the key properties of 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol?
4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol has a molecular weight of 239.36 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(3-propylimidazol-4-yl)methylamino]pentan-1-ol is sourced from PubChem (CID 106348786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).