N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

C16H23N3S — CID 46991953

IUPACN,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccsc1CN(CCN(C)C)Cc1ccccn1
InChIInChI=1S/C16H23N3S/c1-14-7-11-20-16(14)13-19(10-9-18(2)3)12-15-6-4-5-8-17-15/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyNULQOGJNMGJIDV-UHFFFAOYSA-N
MW289.45 g/mol
LogP3.02
Rot. Bonds7

About N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine

N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (PubChem CID 46991953) has the molecular formula C16H23N3S and a molecular weight of 289.45 g/mol. Its IUPAC name is N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
PubChem CID46991953
Molecular FormulaC16H23N3S
Molecular Weight289.45 g/mol
Exact Mass289.16
IUPAC NameN,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
SMILESCc1ccsc1CN(CCN(C)C)Cc1ccccn1
InChIInChI=1S/C16H23N3S/c1-14-7-11-20-16(14)13-19(10-9-18(2)3)12-15-6-4-5-8-17-15/h4-8,11H,9-10,12-13H2,1-3H3
InChIKeyNULQOGJNMGJIDV-UHFFFAOYSA-N
XLogP3.02
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine (CID 46991953) is N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is Cc1ccsc1CN(CCN(C)C)Cc1ccccn1.
What is the InChIKey of N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is NULQOGJNMGJIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3S/c1-14-7-11-20-16(14)13-19(10-9-18(2)3)12-15-6-4-5-8-17-15/h4-8,11H,9-10,12-13H2,1-3H3.
What are the key properties of N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine?
N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 289.45 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[(3-methylthiophen-2-yl)methyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 46991953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).