N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C16H28N2S — CID 79494171

IUPACN'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(C)CCc1cccs1
InChIInChI=1S/C16H28N2S/c1-14-6-3-4-8-16(14)17-10-12-18(2)11-9-15-7-5-13-19-15/h5,7,13-14,16-17H,3-4,6,8-12H2,1-2H3
InChIKeyOWKCORWAFSTYCN-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.39
Rot. Bonds7

About N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79494171) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79494171
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCC1CCCCC1NCCN(C)CCc1cccs1
InChIInChI=1S/C16H28N2S/c1-14-6-3-4-8-16(14)17-10-12-18(2)11-9-15-7-5-13-19-15/h5,7,13-14,16-17H,3-4,6,8-12H2,1-2H3
InChIKeyOWKCORWAFSTYCN-UHFFFAOYSA-N
XLogP3.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494562
N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557859
N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62554475
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 115689591
N'-benzyl-N'-methyl-N-(2-methylcyclohexyl)propane-1,3-diamine
CID 43081939
N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494017
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-pyrrolidin-1-ylethyl)ethane-1,2-diamine
CID 63208841
(2S,3R)-2-methyl-N-(2-thiophen-2-ylethyl)oxolan-3-amine
CID 97358153

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79494171) is N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CC1CCCCC1NCCN(C)CCc1cccs1.
What is the InChIKey of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is OWKCORWAFSTYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-14-6-3-4-8-16(14)17-10-12-18(2)11-9-15-7-5-13-19-15/h5,7,13-14,16-17H,3-4,6,8-12H2,1-2H3.
What are the key properties of N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79494171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).