2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine

C13H24N2S — CID 80557369

IUPAC2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
SMILESCCCCCC(C)(CN)NCc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-4-5-8-13(2,11-14)15-10-12-7-6-9-16-12/h6-7,9,15H,3-5,8,10-11,14H2,1-2H3
InChIKeyHQJULIYIAXRYOW-UHFFFAOYSA-N
MW240.42 g/mol
LogP3.14
Rot. Bonds8

About 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine

2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine (PubChem CID 80557369) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
PubChem CID80557369
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine
SMILESCCCCCC(C)(CN)NCc1cccs1
InChIInChI=1S/C13H24N2S/c1-3-4-5-8-13(2,11-14)15-10-12-7-6-9-16-12/h6-7,9,15H,3-5,8,10-11,14H2,1-2H3
InChIKeyHQJULIYIAXRYOW-UHFFFAOYSA-N
XLogP3.14
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-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

2,5-dimethyl-2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379569
3-(4-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65380352
3-(2-methoxyphenyl)-2-methyl-2-N-(thiophen-2-ylmethyl)propane-1,2-diamine
CID 65382377
2-N-(thiophen-2-ylmethyl)hexane-1,2-diamine
CID 65379566
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-(3,3-dimethylheptyl)thiophene
CID 57210788
2-N,2-dimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)octane-1,2-diamine
CID 79475762
2-ethyl-2-(thiophen-2-ylmethylamino)hexanoic acid
CID 63944724
2-ethyl-2-(thiophen-2-ylmethyl)hexan-1-amine
CID 62725494
4-methyl-2-(2-methylpropyl)-2-N-(thiophen-2-ylmethyl)pentane-1,2-diamine
CID 114867747
2,4,4-trimethyl-N-(thiophen-2-ylmethyl)pentan-2-amine
CID 4722843
4-hexoxy-N-(thiophen-2-ylmethyl)aniline
CID 54798776

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine (CID 80557369) is 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine is CCCCCC(C)(CN)NCc1cccs1.
What is the InChIKey of 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine?
The InChIKey is HQJULIYIAXRYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-4-5-8-13(2,11-14)15-10-12-7-6-9-16-12/h6-7,9,15H,3-5,8,10-11,14H2,1-2H3.
What are the key properties of 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine?
2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine has a molecular weight of 240.42 g/mol, XLogP of 3.14, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(thiophen-2-ylmethyl)heptane-1,2-diamine is sourced from PubChem (CID 80557369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).