2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine

C15H24N2 — CID 64747727

IUPAC2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
SMILESCCN(c1ccccc1N)C1CCC(C)CC1
InChIInChI=1S/C15H24N2/c1-3-17(13-10-8-12(2)9-11-13)15-7-5-4-6-14(15)16/h4-7,12-13H,3,8-11,16H2,1-2H3
InChIKeyKGRQRXDUGGTCLR-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.67
Rot. Bonds3

About 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine

2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine (PubChem CID 64747727) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
PubChem CID64747727
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine
SMILESCCN(c1ccccc1N)C1CCC(C)CC1
InChIInChI=1S/C15H24N2/c1-3-17(13-10-8-12(2)9-11-13)15-7-5-4-6-14(15)16/h4-7,12-13H,3,8-11,16H2,1-2H3
InChIKeyKGRQRXDUGGTCLR-UHFFFAOYSA-N
XLogP3.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine (CID 64747727) is 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine is CCN(c1ccccc1N)C1CCC(C)CC1.
What is the InChIKey of 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
The InChIKey is KGRQRXDUGGTCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(13-10-8-12(2)9-11-13)15-7-5-4-6-14(15)16/h4-7,12-13H,3,8-11,16H2,1-2H3.
What are the key properties of 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine?
2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-(4-methylcyclohexyl)benzene-1,2-diamine is sourced from PubChem (CID 64747727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).