2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine

C12H23N3 — CID 64664391

IUPAC2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1nccn1C
InChIInChI=1S/C12H23N3/c1-10(2)8-13-9-11(3)7-12-14-5-6-15(12)4/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyKNJYJYTUIIWVAM-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.84
Rot. Bonds6

About 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine

2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine (PubChem CID 64664391) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine.

Molecular Properties

Compound Name2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine
PubChem CID64664391
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine
SMILESCC(C)CNCC(C)Cc1nccn1C
InChIInChI=1S/C12H23N3/c1-10(2)8-13-9-11(3)7-12-14-5-6-15(12)4/h5-6,10-11,13H,7-9H2,1-4H3
InChIKeyKNJYJYTUIIWVAM-UHFFFAOYSA-N
XLogP1.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-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

N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233
2-(3-bromo-2-methylpropyl)-1-methylimidazole
CID 64671780
4-methyl-5-[(1-methylimidazol-2-yl)methylamino]pentan-2-ol
CID 115644645
2-methyl-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]-1,2,4-triazol-3-yl]methyl]propan-1-amine
CID 114532070
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]butan-1-amine
CID 64570643
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
1-methyl-2-(3-methylbutyl)imidazole
CID 68983412
2-methyl-N-[[3-[(1-methylimidazol-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 66149320
2-methyl-N-[[2-[(1-methylimidazol-2-yl)methyl]cycloheptyl]methyl]propan-1-amine
CID 81025135
N-ethyl-N',2-dimethyl-N'-[(1-methylimidazol-2-yl)methyl]propane-1,3-diamine
CID 63025130
2-methyl-N-[[1-(4-methylpentyl)imidazol-2-yl]methyl]propan-1-amine
CID 83158054
2-(2-imidazol-1-ylpropyl)-1-methylimidazole
CID 90975843

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine?
The IUPAC name of 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine (CID 64664391) is 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine.
What is the SMILES notation for 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine?
The canonical SMILES for 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine is CC(C)CNCC(C)Cc1nccn1C.
What is the InChIKey of 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine?
The InChIKey is KNJYJYTUIIWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-10(2)8-13-9-11(3)7-12-14-5-6-15(12)4/h5-6,10-11,13H,7-9H2,1-4H3.
What are the key properties of 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine?
2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-methylimidazol-2-yl)-N-(2-methylpropyl)propan-1-amine is sourced from PubChem (CID 64664391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).