N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine

C17H28N2 — CID 55005212

IUPACN-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C2CCCCC2C)cc1
InChIInChI=1S/C17H28N2/c1-13-8-10-15(11-9-13)17(12-18)19(3)16-7-5-4-6-14(16)2/h8-11,14,16-17H,4-7,12,18H2,1-3H3
InChIKeyGALOOPCCQXUACB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds4

About N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine

N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine (PubChem CID 55005212) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
PubChem CID55005212
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine
SMILESCc1ccc(C(CN)N(C)C2CCCCC2C)cc1
InChIInChI=1S/C17H28N2/c1-13-8-10-15(11-9-13)17(12-18)19(3)16-7-5-4-6-14(16)2/h8-11,14,16-17H,4-7,12,18H2,1-3H3
InChIKeyGALOOPCCQXUACB-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine (CID 55005212) is N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine is Cc1ccc(C(CN)N(C)C2CCCCC2C)cc1.
What is the InChIKey of N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine?
The InChIKey is GALOOPCCQXUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13-8-10-15(11-9-13)17(12-18)19(3)16-7-5-4-6-14(16)2/h8-11,14,16-17H,4-7,12,18H2,1-3H3.
What are the key properties of N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine?
N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylcyclohexyl)-1-(4-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 55005212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).