4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine

C17H28N2 — CID 79115906

IUPAC4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCCN(C1CCC(N)CC1)C(C)c1ccccc1C
InChIInChI=1S/C17H28N2/c1-4-19(16-11-9-15(18)10-12-16)14(3)17-8-6-5-7-13(17)2/h5-8,14-16H,4,9-12,18H2,1-3H3
InChIKeyFKZZOLWONOYQIT-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.65
Rot. Bonds4

About 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine

4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 79115906) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID79115906
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCCN(C1CCC(N)CC1)C(C)c1ccccc1C
InChIInChI=1S/C17H28N2/c1-4-19(16-11-9-15(18)10-12-16)14(3)17-8-6-5-7-13(17)2/h5-8,14-16H,4,9-12,18H2,1-3H3
InChIKeyFKZZOLWONOYQIT-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-[1-(2,4-difluorophenyl)ethyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79115999
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113200
N'-cyclopropyl-N'-[1-(2-fluoro-3-methylphenyl)ethyl]ethane-1,2-diamine
CID 172563117
4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
4-N-[1-(dimethylamino)propan-2-yl]-4-N-ethylcyclohexane-1,4-diamine
CID 103189119
N'-(4-ethylcyclohexyl)-N'-methyl-1-(2-methylphenyl)ethane-1,2-diamine
CID 61450749
N-methyl-N-[1-(2-methylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
CID 61231236
N-[1-(2-chlorophenyl)ethyl]-N-ethylpyrrolidin-3-amine
CID 63299507
4-[methylamino-(2-methylphenyl)methyl]cyclohexan-1-amine
CID 116952308
N-cyclopropyl-1-(2,5-dimethylphenyl)-N-ethylethane-1,2-diamine
CID 54977845
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine (CID 79115906) is 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine is CCN(C1CCC(N)CC1)C(C)c1ccccc1C.
What is the InChIKey of 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is FKZZOLWONOYQIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19(16-11-9-15(18)10-12-16)14(3)17-8-6-5-7-13(17)2/h5-8,14-16H,4,9-12,18H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[1-(2-methylphenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79115906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).