N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine

C17H32N2S — CID 79494543

IUPACN'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
SMILESCC(C)CNCCCCCCN(C)CCc1cccs1
InChIInChI=1S/C17H32N2S/c1-16(2)15-18-11-6-4-5-7-12-19(3)13-10-17-9-8-14-20-17/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3
InChIKeyRXVUFDAGYAJPHF-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.03
Rot. Bonds12

About N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine

N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine (PubChem CID 79494543) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
PubChem CID79494543
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC NameN'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine
SMILESCC(C)CNCCCCCCN(C)CCc1cccs1
InChIInChI=1S/C17H32N2S/c1-16(2)15-18-11-6-4-5-7-12-19(3)13-10-17-9-8-14-20-17/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3
InChIKeyRXVUFDAGYAJPHF-UHFFFAOYSA-N
XLogP4.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-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

4-N-methyl-1-N-(2-methylpropyl)-4-N-(2-thiophen-2-ylethyl)pentane-1,4-diamine
CID 79494469
N'-methyl-N-(2-methylpropyl)-N'-(2-phenylethyl)pentane-1,5-diamine
CID 65486366
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
N'-methyl-N'-(2-thiophen-2-ylethyl)heptane-1,7-diamine
CID 79488346
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)propane-1,2-diamine
CID 79494546
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-thiophen-2-ylethyl)pentane-1,2-diamine
CID 83054806
N'-butyl-N'-methyl-N-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 62575943
(2S)-1-[methyl(2-thiophen-2-ylethyl)amino]propan-2-ol
CID 94254566
N'-methyl-N'-[(2-methylphenyl)methyl]-N-(2-methylpropyl)butane-1,4-diamine
CID 62461881
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
CID 79486315
2-bromo-N-methyl-N-(2-thiophen-2-ylethyl)propan-1-amine
CID 80668223
5-[methyl(2-thiophen-2-ylethyl)amino]pentan-2-one
CID 79486633

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine?
The IUPAC name of N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine (CID 79494543) is N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine is CC(C)CNCCCCCCN(C)CCc1cccs1.
What is the InChIKey of N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine?
The InChIKey is RXVUFDAGYAJPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-16(2)15-18-11-6-4-5-7-12-19(3)13-10-17-9-8-14-20-17/h8-9,14,16,18H,4-7,10-13,15H2,1-3H3.
What are the key properties of N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine?
N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.03, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylpropyl)-N'-(2-thiophen-2-ylethyl)hexane-1,6-diamine is sourced from PubChem (CID 79494543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).