2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine

C12H22N4 — CID 107501201

IUPAC2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
SMILESCC1CC(C)N(Cc2cn(CCN)cn2)C1
InChIInChI=1S/C12H22N4/c1-10-5-11(2)16(6-10)8-12-7-15(4-3-13)9-14-12/h7,9-11H,3-6,8,13H2,1-2H3
InChIKeyGSDMXWSJXHPUHS-UHFFFAOYSA-N
MW222.34 g/mol
LogP1.07
Rot. Bonds4

About 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine

2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine (PubChem CID 107501201) has the molecular formula C12H22N4 and a molecular weight of 222.34 g/mol. Its IUPAC name is 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
PubChem CID107501201
Molecular FormulaC12H22N4
Molecular Weight222.34 g/mol
Exact Mass222.18
IUPAC Name2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
SMILESCC1CC(C)N(Cc2cn(CCN)cn2)C1
InChIInChI=1S/C12H22N4/c1-10-5-11(2)16(6-10)8-12-7-15(4-3-13)9-14-12/h7,9-11H,3-6,8,13H2,1-2H3
InChIKeyGSDMXWSJXHPUHS-UHFFFAOYSA-N
XLogP1.07
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine 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-[4-[(3-methylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500731
2-[4-[(4-ethylpiperazin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500649
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-3-methylcyclopentan-1-amine
CID 107501214
2-[4-[(4,4-dimethylpiperidin-1-yl)methyl]imidazol-1-yl]ethanamine
CID 107500889
2-[4-[(2-ethylmorpholin-4-yl)methyl]imidazol-1-yl]ethanamine
CID 107500684
2-[4-(morpholin-4-ylmethyl)imidazol-1-yl]ethanamine
CID 107500617
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]-N-methylcyclobutanamine
CID 107501185
2-(2,3,5-trimethylpiperidin-1-yl)ethanamine
CID 114592249
[1-(2-aminoethyl)imidazol-4-yl]-(2,3,5-trimethylpiperidin-1-yl)methanone
CID 107499855
N-[[1-(2-aminoethyl)imidazol-4-yl]methyl]tricyclo[3.2.1.02,4]octan-3-amine
CID 114096334
(4S)-1-benzyl-2,4-dimethylpyrrolidine
CID 118651465
(2S,4R)-1-benzyl-2,4-dimethylpyrrolidine
CID 15316822

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine (CID 107501201) is 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine is CC1CC(C)N(Cc2cn(CCN)cn2)C1.
What is the InChIKey of 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine?
The InChIKey is GSDMXWSJXHPUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4/c1-10-5-11(2)16(6-10)8-12-7-15(4-3-13)9-14-12/h7,9-11H,3-6,8,13H2,1-2H3.
What are the key properties of 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine?
2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine has a molecular weight of 222.34 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2,4-dimethylpyrrolidin-1-yl)methyl]imidazol-1-yl]ethanamine is sourced from PubChem (CID 107501201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).