N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine

C17H32N2S — CID 79486315

IUPACN'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
SMILESCCCNCCCCCCN(C)C(C)Cc1cccs1
InChIInChI=1S/C17H32N2S/c1-4-11-18-12-7-5-6-8-13-19(3)16(2)15-17-10-9-14-20-17/h9-10,14,16,18H,4-8,11-13,15H2,1-3H3
InChIKeyPAEDTMAYMASMCC-UHFFFAOYSA-N
MW296.52 g/mol
LogP4.17
Rot. Bonds12

About N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine

N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine (PubChem CID 79486315) has the molecular formula C17H32N2S and a molecular weight of 296.52 g/mol. Its IUPAC name is N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
PubChem CID79486315
Molecular FormulaC17H32N2S
Molecular Weight296.52 g/mol
Exact Mass296.23
IUPAC NameN'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine
SMILESCCCNCCCCCCN(C)C(C)Cc1cccs1
InChIInChI=1S/C17H32N2S/c1-4-11-18-12-7-5-6-8-13-19(3)16(2)15-17-10-9-14-20-17/h9-10,14,16,18H,4-8,11-13,15H2,1-3H3
InChIKeyPAEDTMAYMASMCC-UHFFFAOYSA-N
XLogP4.17
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 ≤ 54.17
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-propyl-N'-(1-thiophen-2-ylpropan-2-yl)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

N-butyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79493852
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
N-cyclopropyl-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)butane-1,4-diamine
CID 79486010
4-bromo-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)butan-1-amine
CID 79486724
3-N-methyl-1-N-propyl-3-N-(1-thiophen-2-ylpropan-2-yl)butane-1,3-diamine
CID 79493690
6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]hexan-2-one
CID 79486782
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]butanethioamide
CID 79476073
N-methyl-N-[[1-(propylaminomethyl)cyclopentyl]methyl]-1-thiophen-2-ylpropan-2-amine
CID 79489631
N'-methyl-N-propyl-N'-(2-thiophen-2-ylethyl)propane-1,3-diamine
CID 79486499
4-N-ethyl-1-N-propyl-4-N-(thiophen-2-ylmethyl)pentane-1,4-diamine
CID 62462942
N-ethyl-N'-methyl-N'-[methyl(1-thiophen-2-ylpropan-2-yl)sulfamoyl]propane-1,3-diamine
CID 79489693

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine?
The IUPAC name of N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine (CID 79486315) is N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine?
The canonical SMILES for N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine is CCCNCCCCCCN(C)C(C)Cc1cccs1.
What is the InChIKey of N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine?
The InChIKey is PAEDTMAYMASMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2S/c1-4-11-18-12-7-5-6-8-13-19(3)16(2)15-17-10-9-14-20-17/h9-10,14,16,18H,4-8,11-13,15H2,1-3H3.
What are the key properties of N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine?
N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine has a molecular weight of 296.52 g/mol, XLogP of 4.17, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-propyl-N'-(1-thiophen-2-ylpropan-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 79486315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).