2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine

C17H28N2 — CID 115118118

IUPAC2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCCc1ccc(CCN(C)C2CCCCC2N)cc1
InChIInChI=1S/C17H28N2/c1-3-14-8-10-15(11-9-14)12-13-19(2)17-7-5-4-6-16(17)18/h8-11,16-17H,3-7,12-13,18H2,1-2H3
InChIKeyQABBMJLMMCOBKN-UHFFFAOYSA-N
MW260.43 g/mol
LogP2.99
Rot. Bonds5

About 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine

2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine (PubChem CID 115118118) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
PubChem CID115118118
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
SMILESCCc1ccc(CCN(C)C2CCCCC2N)cc1
InChIInChI=1S/C17H28N2/c1-3-14-8-10-15(11-9-14)12-13-19(2)17-7-5-4-6-16(17)18/h8-11,16-17H,3-7,12-13,18H2,1-2H3
InChIKeyQABBMJLMMCOBKN-UHFFFAOYSA-N
XLogP2.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
1-N-methyl-1-N-(2-pyridin-4-ylethyl)cyclopentane-1,2-diamine
CID 60912856
1-N-[2-(3,4-dimethylphenyl)ethyl]-1-N-methylcyclopentane-1,2-diamine
CID 115117654
1-N-methyl-1-N-(4-propylphenyl)cyclopentane-1,2-diamine
CID 115117233
2-N-ethyl-2-N-methylcyclododecane-1,2-diamine
CID 43263336
N-(2-aminocyclohexyl)-N-methyl-4-propylbenzenesulfonamide
CID 102639359
1-N-butyl-1-N-methylcyclopentane-1,2-diamine
CID 43184025
1-N-methyl-1-N-(2-thiophen-2-ylethyl)cyclopentane-1,2-diamine
CID 79486799
2-N-methyl-2-N-(2-methylsulfanylethyl)cyclohexane-1,2-diamine
CID 112663651
N-[2-(4-ethylphenyl)ethyl]-N-methylpiperidin-4-amine
CID 115118500
1-N-methyl-1-N-(2-pyridin-2-ylethyl)cyclopentane-1,2-diamine
CID 43211466
2-[2-(4-ethylphenyl)ethyl-methylamino]cyclopropane-1-carboxylic acid
CID 117042769

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
The IUPAC name of 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine (CID 115118118) is 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
The canonical SMILES for 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine is CCc1ccc(CCN(C)C2CCCCC2N)cc1.
What is the InChIKey of 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
The InChIKey is QABBMJLMMCOBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-14-8-10-15(11-9-14)12-13-19(2)17-7-5-4-6-16(17)18/h8-11,16-17H,3-7,12-13,18H2,1-2H3.
What are the key properties of 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine?
2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-ethylphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine is sourced from PubChem (CID 115118118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).