N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

C16H28N2S — CID 62557859

IUPACN'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCCC1C)Cc1cccs1
InChIInChI=1S/C16H28N2S/c1-3-18(13-15-8-6-12-19-15)11-10-17-16-9-5-4-7-14(16)2/h6,8,12,14,16-17H,3-5,7,9-11,13H2,1-2H3
InChIKeyAOMPOVTUAWNCRG-UHFFFAOYSA-N
MW280.48 g/mol
LogP3.74
Rot. Bonds7

About N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine

N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (PubChem CID 62557859) has the molecular formula C16H28N2S and a molecular weight of 280.48 g/mol. Its IUPAC name is N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
PubChem CID62557859
Molecular FormulaC16H28N2S
Molecular Weight280.48 g/mol
Exact Mass280.20
IUPAC NameN'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
SMILESCCN(CCNC1CCCCC1C)Cc1cccs1
InChIInChI=1S/C16H28N2S/c1-3-18(13-15-8-6-12-19-15)11-10-17-16-9-5-4-7-14(16)2/h6,8,12,14,16-17H,3-5,7,9-11,13H2,1-2H3
InChIKeyAOMPOVTUAWNCRG-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine with MolForge

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Related Compounds

N-(2-methylcyclohexyl)-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62554475
N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494171
N-(cyclopentylmethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556471
N,N'-diethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 10512741
N-propyl-2-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 55237095
N-(3-ethoxypropyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557518
2-methyl-N-(2-methyl-3-thiophen-2-ylpropyl)cyclopentan-1-amine
CID 115689591
N-(2-ethoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62556643
N-(4-ethoxybutyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55088870
N-(2-butoxyethyl)-N'-ethyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557344
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42951116
N'-ethyl-N-(3-methoxypropyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 55089552

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine (CID 62557859) is N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is CCN(CCNC1CCCCC1C)Cc1cccs1.
What is the InChIKey of N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
The InChIKey is AOMPOVTUAWNCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2S/c1-3-18(13-15-8-6-12-19-15)11-10-17-16-9-5-4-7-14(16)2/h6,8,12,14,16-17H,3-5,7,9-11,13H2,1-2H3.
What are the key properties of N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine?
N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine has a molecular weight of 280.48 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(2-methylcyclohexyl)-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 62557859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).