N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine

C15H20N2S — CID 45034457

IUPACN,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine
SMILESCc1cc2ccccc2nc1SCCCN(C)C
InChIInChI=1S/C15H20N2S/c1-12-11-13-7-4-5-8-14(13)16-15(12)18-10-6-9-17(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyAVZUMFSDIIWPQD-UHFFFAOYSA-N
MW260.41 g/mol
LogP3.59
Rot. Bonds5

About N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine

N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine (PubChem CID 45034457) has the molecular formula C15H20N2S and a molecular weight of 260.41 g/mol. Its IUPAC name is N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine
PubChem CID45034457
Molecular FormulaC15H20N2S
Molecular Weight260.41 g/mol
Exact Mass260.13
IUPAC NameN,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine
SMILESCc1cc2ccccc2nc1SCCCN(C)C
InChIInChI=1S/C15H20N2S/c1-12-11-13-7-4-5-8-14(13)16-15(12)18-10-6-9-17(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3
InChIKeyAVZUMFSDIIWPQD-UHFFFAOYSA-N
XLogP3.59
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.41
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-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

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine?
The IUPAC name of N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine (CID 45034457) is N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine is Cc1cc2ccccc2nc1SCCCN(C)C.
What is the InChIKey of N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine?
The InChIKey is AVZUMFSDIIWPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2S/c1-12-11-13-7-4-5-8-14(13)16-15(12)18-10-6-9-17(2)3/h4-5,7-8,11H,6,9-10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine?
N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine has a molecular weight of 260.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(3-methylquinolin-2-yl)sulfanylpropan-1-amine is sourced from PubChem (CID 45034457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).