4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine

C16H26N2 — CID 64740574

IUPAC4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H26N2/c1-4-18(15-9-6-14(17)7-10-15)16-8-5-12(2)13(3)11-16/h6-7,9-10,12-13,16H,4-5,8,11,17H2,1-3H3
InChIKeyGVAIPXNJPBZYBN-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.92
Rot. Bonds3

About 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine

4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine (PubChem CID 64740574) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine
PubChem CID64740574
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine
SMILESCCN(c1ccc(N)cc1)C1CCC(C)C(C)C1
InChIInChI=1S/C16H26N2/c1-4-18(15-9-6-14(17)7-10-15)16-8-5-12(2)13(3)11-16/h6-7,9-10,12-13,16H,4-5,8,11,17H2,1-3H3
InChIKeyGVAIPXNJPBZYBN-UHFFFAOYSA-N
XLogP3.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.92
H-Bond Donors ≤ 51
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-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine (CID 64740574) is 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine is CCN(c1ccc(N)cc1)C1CCC(C)C(C)C1.
What is the InChIKey of 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine?
The InChIKey is GVAIPXNJPBZYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-4-18(15-9-6-14(17)7-10-15)16-8-5-12(2)13(3)11-16/h6-7,9-10,12-13,16H,4-5,8,11,17H2,1-3H3.
What are the key properties of 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine?
4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine has a molecular weight of 246.40 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dimethylcyclohexyl)-4-N-ethylbenzene-1,4-diamine is sourced from PubChem (CID 64740574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).