2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine

C13H26N4 — CID 107444090

IUPAC2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1CC(C)N(C)C
InChIInChI=1S/C13H26N4/c1-10(2)12(6-14)13-7-15-9-17(13)8-11(3)16(4)5/h7,9-12H,6,8,14H2,1-5H3
InChIKeyTZWXOMSXCVVLSS-UHFFFAOYSA-N
MW238.38 g/mol
LogP1.53
Rot. Bonds6

About 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine

2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine (PubChem CID 107444090) has the molecular formula C13H26N4 and a molecular weight of 238.38 g/mol. Its IUPAC name is 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
PubChem CID107444090
Molecular FormulaC13H26N4
Molecular Weight238.38 g/mol
Exact Mass238.22
IUPAC Name2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine
SMILESCC(C)C(CN)c1cncn1CC(C)N(C)C
InChIInChI=1S/C13H26N4/c1-10(2)12(6-14)13-7-15-9-17(13)8-11(3)16(4)5/h7,9-12H,6,8,14H2,1-5H3
InChIKeyTZWXOMSXCVVLSS-UHFFFAOYSA-N
XLogP1.53
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine 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

3-methyl-2-[3-(2-methylsulfinylpropyl)imidazol-4-yl]butan-1-amine
CID 107444361
3-methyl-2-[3-[(2-methylcyclopropyl)methyl]imidazol-4-yl]butan-1-amine
CID 107444354
3-methyl-2-[3-(2,2,3,3-tetrafluoropropyl)imidazol-4-yl]butan-1-amine
CID 114169292
3-methyl-2-[3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]imidazol-4-yl]butan-1-amine
CID 106422452
2-[3-[(2-methoxyphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443923
3-methyl-2-[3-(2-thiomorpholin-4-ylethyl)imidazol-4-yl]butan-1-amine
CID 106327217
2-(3-tert-butylimidazol-4-yl)-3-methylbutan-1-amine
CID 107443976
2-[3-[(2-chlorophenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107443913
3-methyl-2-[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]butan-1-amine
CID 107444218
2-[3-[(4-fluoro-3,5-dimethylphenyl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444278
2-[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 106040953
2-[3-[(4-ethylmorpholin-2-yl)methyl]imidazol-4-yl]-3-methylbutan-1-amine
CID 107444378

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
The IUPAC name of 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine (CID 107444090) is 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
The canonical SMILES for 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine is CC(C)C(CN)c1cncn1CC(C)N(C)C.
What is the InChIKey of 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
The InChIKey is TZWXOMSXCVVLSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4/c1-10(2)12(6-14)13-7-15-9-17(13)8-11(3)16(4)5/h7,9-12H,6,8,14H2,1-5H3.
What are the key properties of 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine?
2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine has a molecular weight of 238.38 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(dimethylamino)propyl]imidazol-4-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 107444090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).