2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine

C14H26N2S — CID 79661594

IUPAC2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCCCN(CCc1cccs1)CC(C)(C)CN
InChIInChI=1S/C14H26N2S/c1-4-8-16(12-14(2,3)11-15)9-7-13-6-5-10-17-13/h5-6,10H,4,7-9,11-12,15H2,1-3H3
InChIKeyMBORWNDFZRBKQH-UHFFFAOYSA-N
MW254.44 g/mol
LogP2.99
Rot. Bonds8

About 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine

2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine (PubChem CID 79661594) has the molecular formula C14H26N2S and a molecular weight of 254.44 g/mol. Its IUPAC name is 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
PubChem CID79661594
Molecular FormulaC14H26N2S
Molecular Weight254.44 g/mol
Exact Mass254.18
IUPAC Name2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
SMILESCCCN(CCc1cccs1)CC(C)(C)CN
InChIInChI=1S/C14H26N2S/c1-4-8-16(12-14(2,3)11-15)9-7-13-6-5-10-17-13/h5-6,10H,4,7-9,11-12,15H2,1-3H3
InChIKeyMBORWNDFZRBKQH-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.44
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)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

Related Compounds

2,2-dimethyl-N'-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-N'-propylpropane-1,3-diamine
CID 79661509
N',2,2-trimethyl-N'-(thiophen-2-ylmethyl)butane-1,4-diamine
CID 65247464
N'-cyclopropyl-2,2-dimethyl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62261097
N-(3-amino-2,2-dimethylpropyl)-N-methyl-4-thiophen-2-ylbutanamide
CID 79652321
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
N'-[(3-fluorophenyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667717
2,2-dimethyl-N'-propyl-N'-[(4-trimethylsilylphenyl)methyl]propane-1,3-diamine
CID 103438203
N-(3-amino-2,2-dimethylpropyl)-N-ethyl-2-thiophen-2-ylacetamide
CID 79667491
2-N,2,3-trimethyl-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 114275023
N'-(2-ethylsulfonylethyl)-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661692
2,2-dimethyl-N'-[2-(4-nitrophenyl)ethyl]-N'-propylpropane-1,3-diamine
CID 79665482
N'-[[3-(methoxymethyl)phenyl]methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79668545

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine (CID 79661594) is 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine is CCCN(CCc1cccs1)CC(C)(C)CN.
What is the InChIKey of 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
The InChIKey is MBORWNDFZRBKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2S/c1-4-8-16(12-14(2,3)11-15)9-7-13-6-5-10-17-13/h5-6,10H,4,7-9,11-12,15H2,1-3H3.
What are the key properties of 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine?
2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine has a molecular weight of 254.44 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N'-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine is sourced from PubChem (CID 79661594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).