1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine

C14H20N2 — CID 167246472

IUPAC1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine
SMILESCNc1ccccc1NC1CC=CCC1C
InChIInChI=1S/C14H20N2/c1-11-7-3-4-8-12(11)16-14-10-6-5-9-13(14)15-2/h3-6,9-12,15-16H,7-8H2,1-2H3
InChIKeyXHZZDLOKFBXNDV-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.49
Rot. Bonds3

About 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine

1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine (PubChem CID 167246472) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine
PubChem CID167246472
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine
SMILESCNc1ccccc1NC1CC=CCC1C
InChIInChI=1S/C14H20N2/c1-11-7-3-4-8-12(11)16-14-10-6-5-9-13(14)15-2/h3-6,9-12,15-16H,7-8H2,1-2H3
InChIKeyXHZZDLOKFBXNDV-UHFFFAOYSA-N
XLogP3.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine?
The IUPAC name of 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine (CID 167246472) is 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine?
The canonical SMILES for 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine is CNc1ccccc1NC1CC=CCC1C.
What is the InChIKey of 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine?
The InChIKey is XHZZDLOKFBXNDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-11-7-3-4-8-12(11)16-14-10-6-5-9-13(14)15-2/h3-6,9-12,15-16H,7-8H2,1-2H3.
What are the key properties of 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine?
1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine has a molecular weight of 216.33 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-methyl-2-N-(6-methylcyclohex-3-en-1-yl)benzene-1,2-diamine is sourced from PubChem (CID 167246472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).