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

C17H28N2O — CID 79115451

IUPAC4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCc1ccc(OC)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H28N2O/c1-3-19(16-8-6-15(18)7-9-16)13-12-14-4-10-17(20-2)11-5-14/h4-5,10-11,15-16H,3,6-9,12-13,18H2,1-2H3
InChIKeyKGVULDZLTOYRAD-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.83
Rot. Bonds6

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

4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 79115451) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID79115451
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine
SMILESCCN(CCc1ccc(OC)cc1)C1CCC(N)CC1
InChIInChI=1S/C17H28N2O/c1-3-19(16-8-6-15(18)7-9-16)13-12-14-4-10-17(20-2)11-5-14/h4-5,10-11,15-16H,3,6-9,12-13,18H2,1-2H3
InChIKeyKGVULDZLTOYRAD-UHFFFAOYSA-N
XLogP2.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-N-[2-(4-methoxyphenyl)ethyl]cyclopropanamine
CID 80668431
N'-cyclobutyl-N'-[2-(4-methoxyphenyl)ethyl]propane-1,3-diamine
CID 102874850
3-[cyclobutyl-[2-(4-methoxyphenyl)ethyl]amino]propan-1-ol
CID 102848724
2-[cyclopentyl-[2-(4-methoxyphenyl)ethyl]amino]ethanethioamide
CID 65446178
2-[[(4-aminocyclohexyl)-ethylamino]methyl]-4-methoxyphenol
CID 79115140
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
4-N-ethyl-4-N-[2-(2-methoxyphenoxy)ethyl]cyclohexane-1,4-diamine
CID 79114793
N-(4-aminocyclohexyl)-N-ethyl-4-methoxybenzamide
CID 79115419
4-N-[2-(3-methoxyphenyl)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 115149922
2-N-[2-(4-methoxyphenyl)ethyl]-2-N-methylcyclohexane-1,2-diamine
CID 102639912
4-N,4-N-diethylcyclohexane-1,4-diamine;dihydrochloride
CID 53408661
N'-ethyl-N'-[2-(4-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 65428987

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine (CID 79115451) is 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine is CCN(CCc1ccc(OC)cc1)C1CCC(N)CC1.
What is the InChIKey of 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is KGVULDZLTOYRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-19(16-8-6-15(18)7-9-16)13-12-14-4-10-17(20-2)11-5-14/h4-5,10-11,15-16H,3,6-9,12-13,18H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine?
4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 276.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-[2-(4-methoxyphenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 79115451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).