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

C18H30N2 — CID 61437159

IUPAC1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCc1ccc(C(N)CN(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-15-7-9-16(10-8-15)18(19)13-20(3)17-11-5-14(2)6-12-17/h7-10,14,17-18H,4-6,11-13,19H2,1-3H3
InChIKeyRGZYNSKFORRNCV-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.76
Rot. Bonds5

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

1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine (PubChem CID 61437159) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
PubChem CID61437159
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine
SMILESCCc1ccc(C(N)CN(C)C2CCC(C)CC2)cc1
InChIInChI=1S/C18H30N2/c1-4-15-7-9-16(10-8-15)18(19)13-20(3)17-11-5-14(2)6-12-17/h7-10,14,17-18H,4-6,11-13,19H2,1-3H3
InChIKeyRGZYNSKFORRNCV-UHFFFAOYSA-N
XLogP3.76
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 ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-butyl-N'-cyclopropyl-1-(4-ethylphenyl)ethane-1,2-diamine
CID 61441578
N'-cyclohexyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43099891
N'-cyclopropyl-N'-ethyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43264141
1-(4-ethylphenyl)-N',N'-dipropylethane-1,2-diamine
CID 43094884
N'-cyclopropyl-N'-propyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43270345
N'-(cyclopropylmethyl)-1-(4-ethylphenyl)-N'-propylethane-1,2-diamine
CID 61440981
N'-cyclopentyl-N'-methyl-1-(4-propoxyphenyl)ethane-1,2-diamine
CID 43267132
1-(4-ethylphenyl)-N'-methyl-N'-pentan-3-ylethane-1,2-diamine
CID 43570965
N'-(1-ethylpiperidin-4-yl)-1-(4-fluorophenyl)-N'-methylethane-1,2-diamine
CID 107520485
N'-methyl-N'-(3-methylcyclohexyl)-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 63469595
1-(4-fluorophenyl)-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 107520231
N-[2-chloro-2-(4-ethylphenyl)ethyl]-N-methylcyclohexanamine
CID 82214367

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The IUPAC name of 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine (CID 61437159) is 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine.
What is the SMILES notation for 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The canonical SMILES for 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine is CCc1ccc(C(N)CN(C)C2CCC(C)CC2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
The InChIKey is RGZYNSKFORRNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-15-7-9-16(10-8-15)18(19)13-20(3)17-11-5-14(2)6-12-17/h7-10,14,17-18H,4-6,11-13,19H2,1-3H3.
What are the key properties of 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine?
1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-N'-methyl-N'-(4-methylcyclohexyl)ethane-1,2-diamine is sourced from PubChem (CID 61437159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).