N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine

C18H30N2 — CID 43103531

IUPACN'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(C)cc1C)C1CCCCC1
InChIInChI=1S/C18H30N2/c1-4-20(16-8-6-5-7-9-16)13-18(19)17-11-10-14(2)12-15(17)3/h10-12,16,18H,4-9,13,19H2,1-3H3
InChIKeyYJSPVRJCCMBABU-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.96
Rot. Bonds5

About N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine

N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine (PubChem CID 43103531) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
PubChem CID43103531
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC NameN'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine
SMILESCCN(CC(N)c1ccc(C)cc1C)C1CCCCC1
InChIInChI=1S/C18H30N2/c1-4-20(16-8-6-5-7-9-16)13-18(19)17-11-10-14(2)12-15(17)3/h10-12,16,18H,4-9,13,19H2,1-3H3
InChIKeyYJSPVRJCCMBABU-UHFFFAOYSA-N
XLogP3.96
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 ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-cyclopropyl-1-(2,4-dimethylphenyl)-N'-propylethane-1,2-diamine
CID 43270354
N'-cyclopentyl-N'-ethyl-1-(3-methylphenyl)ethane-1,2-diamine
CID 61308928
2-cyclopentyl-1-(2,4-dimethylphenyl)ethanamine
CID 43825536
N'-cyclohexyl-N'-ethyl-1-(4-propan-2-ylphenyl)ethane-1,2-diamine
CID 43108213
1-[cyclohexyl(ethyl)amino]-3-(2,4-dimethylphenoxy)propan-2-ol chloride
CID 21237610
1-(2,4-dimethylphenyl)-N'-methyl-N'-(oxolan-3-yl)ethane-1,2-diamine
CID 82735465
2-cyclopentyloxy-1-(2,4-dimethylphenyl)ethanamine
CID 16787189
(1R)-1-(2,4-dimethylphenyl)propan-1-amine
CID 7176017
N'-cyclopentyl-1-(4-ethoxyphenyl)-N'-ethylethane-1,2-diamine
CID 43541063
N'-cyclopentyl-1-(3,4-difluorophenyl)-N'-ethylethane-1,2-diamine
CID 107519650
1-(2,4-dimethylphenyl)-2-(2,6-dimethylpiperidin-1-yl)ethanamine
CID 43098495
N'-cyclopentyl-N'-ethyl-1-(3-fluorophenyl)ethane-1,2-diamine
CID 107519652

Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine (CID 43103531) is N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine is CCN(CC(N)c1ccc(C)cc1C)C1CCCCC1.
What is the InChIKey of N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine?
The InChIKey is YJSPVRJCCMBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-4-20(16-8-6-5-7-9-16)13-18(19)17-11-10-14(2)12-15(17)3/h10-12,16,18H,4-9,13,19H2,1-3H3.
What are the key properties of N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine?
N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine has a molecular weight of 274.45 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-1-(2,4-dimethylphenyl)-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 43103531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).