N'-(4-cyclohexylphenyl)ethane-1,2-diamine

C14H22N2 — CID 82493726

IUPACN'-(4-cyclohexylphenyl)ethane-1,2-diamine
SMILESNCCNc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,16H,1-5,10-11,15H2
InChIKeyWQWYBEATJLWLEM-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.10
Rot. Bonds4

About N'-(4-cyclohexylphenyl)ethane-1,2-diamine

N'-(4-cyclohexylphenyl)ethane-1,2-diamine (PubChem CID 82493726) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N'-(4-cyclohexylphenyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(4-cyclohexylphenyl)ethane-1,2-diamine
PubChem CID82493726
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN'-(4-cyclohexylphenyl)ethane-1,2-diamine
SMILESNCCNc1ccc(C2CCCCC2)cc1
InChIInChI=1S/C14H22N2/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,16H,1-5,10-11,15H2
InChIKeyWQWYBEATJLWLEM-UHFFFAOYSA-N
XLogP3.10
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclohexylphenyl)ethane-1,2-diamine?
The IUPAC name of N'-(4-cyclohexylphenyl)ethane-1,2-diamine (CID 82493726) is N'-(4-cyclohexylphenyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(4-cyclohexylphenyl)ethane-1,2-diamine?
The canonical SMILES for N'-(4-cyclohexylphenyl)ethane-1,2-diamine is NCCNc1ccc(C2CCCCC2)cc1.
What is the InChIKey of N'-(4-cyclohexylphenyl)ethane-1,2-diamine?
The InChIKey is WQWYBEATJLWLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c15-10-11-16-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h6-9,12,16H,1-5,10-11,15H2.
What are the key properties of N'-(4-cyclohexylphenyl)ethane-1,2-diamine?
N'-(4-cyclohexylphenyl)ethane-1,2-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclohexylphenyl)ethane-1,2-diamine is sourced from PubChem (CID 82493726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).