(1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride

C13H25ClN4 — CID 162313072

IUPAC(1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride
SMILESCC(C)[C@H](N)c1cn(C[C@@H]2CCN(C)C2)cn1.Cl
InChIInChI=1S/C13H24N4.ClH/c1-10(2)13(14)12-8-17(9-15-12)7-11-4-5-16(3)6-11;/h8-11,13H,4-7,14H2,1-3H3;1H/t11-,13+;/m1./s1
InChIKeyPUMPRAROZIWIES-YLAFAASESA-N
MW272.82 g/mol
LogP1.91
Rot. Bonds4

About (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride

(1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride (PubChem CID 162313072) has the molecular formula C13H25ClN4 and a molecular weight of 272.82 g/mol. Its IUPAC name is (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride
PubChem CID162313072
Molecular FormulaC13H25ClN4
Molecular Weight272.82 g/mol
Exact Mass272.18
IUPAC Name(1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride
SMILESCC(C)[C@H](N)c1cn(C[C@@H]2CCN(C)C2)cn1.Cl
InChIInChI=1S/C13H24N4.ClH/c1-10(2)13(14)12-8-17(9-15-12)7-11-4-5-16(3)6-11;/h8-11,13H,4-7,14H2,1-3H3;1H/t11-,13+;/m1./s1
InChIKeyPUMPRAROZIWIES-YLAFAASESA-N
XLogP1.91
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.82
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride 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

4-methyl-1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazole
CID 89147179
[2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propyl]carbamoyl formate
CID 138676004
2-methyl-N-[[1-[(1-methylpyrrolidin-3-yl)methyl]imidazol-4-yl]methyl]propan-2-amine
CID 114204050
1-[(1-methylpiperidin-4-yl)methyl]-4-oxopyrimidine-5-carboxylic acid
CID 115114277
1-(1-methylpyrrolidin-3-yl)propan-2-amine
CID 71433430
N-[[1-[(1-methylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]ethanamine
CID 114204155
1-[2-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazol-5-yl]ethanamine
CID 115085267
1-[4-[(1-methylpyrrolidin-3-yl)methoxy]phenyl]ethanamine
CID 117052228
1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106563035
1-[1-(oxan-4-ylmethyl)imidazol-4-yl]propan-2-amine
CID 106721143
2-(1-aminoethyl)-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]aniline
CID 63275703
1-[2-[(1-methylpiperidin-4-yl)methyl]-1,3-oxazol-5-yl]ethanamine
CID 115085427

Frequently Asked Questions

What is the IUPAC name of (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride?
The IUPAC name of (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride (CID 162313072) is (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride?
The canonical SMILES for (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride is CC(C)[C@H](N)c1cn(C[C@@H]2CCN(C)C2)cn1.Cl.
What is the InChIKey of (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride?
The InChIKey is PUMPRAROZIWIES-YLAFAASESA-N. The full InChI is InChI=1S/C13H24N4.ClH/c1-10(2)13(14)12-8-17(9-15-12)7-11-4-5-16(3)6-11;/h8-11,13H,4-7,14H2,1-3H3;1H/t11-,13+;/m1./s1.
What are the key properties of (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride?
(1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride has a molecular weight of 272.82 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-methyl-1-[1-[[(3R)-1-methylpyrrolidin-3-yl]methyl]imidazol-4-yl]propan-1-amine;hydrochloride is sourced from PubChem (CID 162313072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).