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

C18H30N2 — CID 63502730

IUPACN'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCc1ccc(N(C)CCNC2CCCCC2C)cc1
InChIInChI=1S/C18H30N2/c1-4-16-9-11-17(12-10-16)20(3)14-13-19-18-8-6-5-7-15(18)2/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyIYUPTAKNRPKATA-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.85
Rot. Bonds6

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

N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 63502730) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
PubChem CID63502730
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine
SMILESCCc1ccc(N(C)CCNC2CCCCC2C)cc1
InChIInChI=1S/C18H30N2/c1-4-16-9-11-17(12-10-16)20(3)14-13-19-18-8-6-5-7-15(18)2/h9-12,15,18-19H,4-8,13-14H2,1-3H3
InChIKeyIYUPTAKNRPKATA-UHFFFAOYSA-N
XLogP3.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine (CID 63502730) is N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is CCc1ccc(N(C)CCNC2CCCCC2C)cc1.
What is the InChIKey of N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is IYUPTAKNRPKATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-16-9-11-17(12-10-16)20(3)14-13-19-18-8-6-5-7-15(18)2/h9-12,15,18-19H,4-8,13-14H2,1-3H3.
What are the key properties of N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine?
N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylphenyl)-N'-methyl-N-(2-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 63502730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).