4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine

C14H22N2 — CID 64732658

IUPAC4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
SMILESCC1CC(C)CC(Nc2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-6,10-11,14,16H,7-9,15H2,1-2H3
InChIKeyCDOVOKINCXAARM-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.51
Rot. Bonds2

About 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine

4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine (PubChem CID 64732658) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
PubChem CID64732658
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine
SMILESCC1CC(C)CC(Nc2ccc(N)cc2)C1
InChIInChI=1S/C14H22N2/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-6,10-11,14,16H,7-9,15H2,1-2H3
InChIKeyCDOVOKINCXAARM-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine (CID 64732658) is 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine is CC1CC(C)CC(Nc2ccc(N)cc2)C1.
What is the InChIKey of 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine?
The InChIKey is CDOVOKINCXAARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-10-7-11(2)9-14(8-10)16-13-5-3-12(15)4-6-13/h3-6,10-11,14,16H,7-9,15H2,1-2H3.
What are the key properties of 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine?
4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine has a molecular weight of 218.34 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylcyclohexyl)benzene-1,4-diamine is sourced from PubChem (CID 64732658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).