N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine

C10H18N2S — CID 58514640

IUPACN',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine
SMILESCc1ccc(NCCCN(C)C)s1
InChIInChI=1S/C10H18N2S/c1-9-5-6-10(13-9)11-7-4-8-12(2)3/h5-6,11H,4,7-8H2,1-3H3
InChIKeyUYNZXUNAWCPHEV-UHFFFAOYSA-N
MW198.33 g/mol
LogP2.42
Rot. Bonds5

About N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine

N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine (PubChem CID 58514640) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine
PubChem CID58514640
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC NameN',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine
SMILESCc1ccc(NCCCN(C)C)s1
InChIInChI=1S/C10H18N2S/c1-9-5-6-10(13-9)11-7-4-8-12(2)3/h5-6,11H,4,7-8H2,1-3H3
InChIKeyUYNZXUNAWCPHEV-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-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-(5-methylthiophen-2-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine (CID 58514640) is N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine is Cc1ccc(NCCCN(C)C)s1.
What is the InChIKey of N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine?
The InChIKey is UYNZXUNAWCPHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-9-5-6-10(13-9)11-7-4-8-12(2)3/h5-6,11H,4,7-8H2,1-3H3.
What are the key properties of N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine has a molecular weight of 198.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(5-methylthiophen-2-yl)propane-1,3-diamine is sourced from PubChem (CID 58514640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).