1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine

C15H24N2 — CID 62912657

IUPAC1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine
SMILESCc1ccc(N(C)C2CCCCC2C)cc1N
InChIInChI=1S/C15H24N2/c1-11-8-9-13(10-14(11)16)17(3)15-7-5-4-6-12(15)2/h8-10,12,15H,4-7,16H2,1-3H3
InChIKeyPTOIGCHVISSISQ-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.59
Rot. Bonds2

About 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine

1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine (PubChem CID 62912657) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine
PubChem CID62912657
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine
SMILESCc1ccc(N(C)C2CCCCC2C)cc1N
InChIInChI=1S/C15H24N2/c1-11-8-9-13(10-14(11)16)17(3)15-7-5-4-6-12(15)2/h8-10,12,15H,4-7,16H2,1-3H3
InChIKeyPTOIGCHVISSISQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.59
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 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine (CID 62912657) is 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine is Cc1ccc(N(C)C2CCCCC2C)cc1N.
What is the InChIKey of 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine?
The InChIKey is PTOIGCHVISSISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-8-9-13(10-14(11)16)17(3)15-7-5-4-6-12(15)2/h8-10,12,15H,4-7,16H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine?
1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-(2-methylcyclohexyl)benzene-1,3-diamine is sourced from PubChem (CID 62912657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).