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

C18H30N2 — CID 61450749

IUPACN'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCCC1CCC(N(C)CC(N)c2ccccc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-15-9-11-16(12-10-15)20(3)13-18(19)17-8-6-5-7-14(17)2/h5-8,15-16,18H,4,9-13,19H2,1-3H3
InChIKeyANGLQTAOYJIFQX-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.90
Rot. Bonds5

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

N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine (PubChem CID 61450749) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
PubChem CID61450749
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
SMILESCCC1CCC(N(C)CC(N)c2ccccc2C)CC1
InChIInChI=1S/C18H30N2/c1-4-15-9-11-16(12-10-15)20(3)13-18(19)17-8-6-5-7-14(17)2/h5-8,15-16,18H,4,9-13,19H2,1-3H3
InChIKeyANGLQTAOYJIFQX-UHFFFAOYSA-N
XLogP3.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cycloheptyl-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43614010
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)ethane-1,2-diamine
CID 43611052
N'-cyclopropyl-N'-methyl-1-(2-methylphenyl)propane-1,3-diamine
CID 62630764
N',N'-dimethyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 16782044
1-N-(4-ethylcyclohexyl)-1-N-methyl-3-phenylpropane-1,2-diamine
CID 61449744
N'-(1-cyclopropylethyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 43569043
N'-cyclohexyl-1-(2-fluorophenyl)-N'-methylethane-1,2-diamine
CID 16786425
N'-cyclopropyl-1-(2-methylphenyl)-N'-propylpropane-1,3-diamine
CID 55098071
N'-cyclopentyl-1-(2-ethoxyphenyl)-N'-methylethane-1,2-diamine
CID 43267133
N'-methyl-N'-(2-methylbutyl)-1-(2-methylphenyl)ethane-1,2-diamine
CID 43295706
N'-methyl-1-(2-methylphenyl)-N'-(oxan-4-yl)propane-1,3-diamine
CID 62629255
4-ethyl-N-methyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 155402155

Frequently Asked Questions

What is the IUPAC name of N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine (CID 61450749) is N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine is CCC1CCC(N(C)CC(N)c2ccccc2C)CC1.
What is the InChIKey of N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
The InChIKey is ANGLQTAOYJIFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-15-9-11-16(12-10-15)20(3)13-18(19)17-8-6-5-7-14(17)2/h5-8,15-16,18H,4,9-13,19H2,1-3H3.
What are the key properties of N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine?
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 61450749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).