N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

C13H23N3S — CID 113279452

IUPACN'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCN1CCC(CN(C)CC(N)c2cccs2)C1
InChIInChI=1S/C13H23N3S/c1-15-6-5-11(8-15)9-16(2)10-12(14)13-4-3-7-17-13/h3-4,7,11-12H,5-6,8-10,14H2,1-2H3
InChIKeyMLJGTJFNLKIKPC-UHFFFAOYSA-N
MW253.41 g/mol
LogP1.63
Rot. Bonds5

About N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine

N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 113279452) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
PubChem CID113279452
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
SMILESCN1CCC(CN(C)CC(N)c2cccs2)C1
InChIInChI=1S/C13H23N3S/c1-15-6-5-11(8-15)9-16(2)10-12(14)13-4-3-7-17-13/h3-4,7,11-12H,5-6,8-10,14H2,1-2H3
InChIKeyMLJGTJFNLKIKPC-UHFFFAOYSA-N
XLogP1.63
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-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

N'-methyl-N'-(1-methylpiperidin-3-yl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287822
1-(1,3-benzodioxol-5-yl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]ethane-1,2-diamine
CID 63275991
3-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-1-amine
CID 82021708
2-amino-3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]propan-1-ol
CID 64788626
N',2-dimethyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63275885
1-N-methyl-1-N-(1-methylpiperidin-4-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 55022144
N'-methyl-N'-[(4-methylphenyl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287665
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
1-(4-bromophenyl)-N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]propane-1,3-diamine
CID 63274523
1-(2-amino-2-thiophen-2-ylethyl)-N,N-dimethylpiperidin-4-amine
CID 113279390
(2S)-N-methyl-2-morpholin-4-yl-N-(oxan-4-ylmethyl)-2-thiophen-2-ylethanamine
CID 95767529
1-N-methyl-1-N-(1-methylpiperidin-3-yl)-1-thiophen-2-ylpropane-1,2-diamine
CID 62547450

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine (CID 113279452) is N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is CN1CCC(CN(C)CC(N)c2cccs2)C1.
What is the InChIKey of N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is MLJGTJFNLKIKPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-15-6-5-11(8-15)9-16(2)10-12(14)13-4-3-7-17-13/h3-4,7,11-12H,5-6,8-10,14H2,1-2H3.
What are the key properties of N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine?
N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 253.41 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(1-methylpyrrolidin-3-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 113279452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).