3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

C13H24N4 — CID 66141599

IUPAC3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCc1cncn1C1CC1
InChIInChI=1S/C13H24N4/c1-11(6-7-16(2)3)15-9-13-8-14-10-17(13)12-4-5-12/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyVFXAGKWCLPUILD-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.65
Rot. Bonds7

About 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine

3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (PubChem CID 66141599) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
PubChem CID66141599
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine
SMILESCC(CCN(C)C)NCc1cncn1C1CC1
InChIInChI=1S/C13H24N4/c1-11(6-7-16(2)3)15-9-13-8-14-10-17(13)12-4-5-12/h8,10-12,15H,4-7,9H2,1-3H3
InChIKeyVFXAGKWCLPUILD-UHFFFAOYSA-N
XLogP1.65
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine 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

2-[(3-cyclopropylimidazol-4-yl)methylamino]-N,N-dimethylpropanamide
CID 66163296
(2S)-2-[(3-cyclopropylimidazol-4-yl)methylamino]propanoic acid
CID 83194284
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81405662
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 66141611
(1S)-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-methylphenyl)ethanamine
CID 81375145
2-[(3-cyclopropylimidazol-4-yl)methylamino]-4-methylpentan-1-ol
CID 66162549
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2-fluorophenyl)ethanamine
CID 66163741
(2R)-2-[(3-cyclopropylimidazol-4-yl)methylamino]butan-1-ol
CID 104868868
(1S)-1-(4-chlorophenyl)-N-[(3-cyclopropylimidazol-4-yl)methyl]ethanamine
CID 81351919
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-ethoxy-3-methylbutan-2-amine
CID 114114899
N-[(3-cyclopropylimidazol-4-yl)methyl]-1-(2,5-dimethylfuran-3-yl)ethanamine
CID 66140201
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601

Frequently Asked Questions

What is the IUPAC name of 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The IUPAC name of 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine (CID 66141599) is 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine.
What is the SMILES notation for 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The canonical SMILES for 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is CC(CCN(C)C)NCc1cncn1C1CC1.
What is the InChIKey of 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
The InChIKey is VFXAGKWCLPUILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-11(6-7-16(2)3)15-9-13-8-14-10-17(13)12-4-5-12/h8,10-12,15H,4-7,9H2,1-3H3.
What are the key properties of 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine?
3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(3-cyclopropylimidazol-4-yl)methyl]-1-N,1-N-dimethylbutane-1,3-diamine is sourced from PubChem (CID 66141599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).