3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine

C14H21N3 — CID 71248627

IUPAC3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(NNC2=C(C)C=C(N)CC2)CC1
InChIInChI=1S/C14H21N3/c1-10-3-6-13(7-4-10)16-17-14-8-5-12(15)9-11(14)2/h3,6,9,16-17H,4-5,7-8,15H2,1-2H3
InChIKeyHOQSFOSTBDGEPP-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.62
Rot. Bonds3

About 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine

3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine (PubChem CID 71248627) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine
PubChem CID71248627
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine
SMILESCC1=CC=C(NNC2=C(C)C=C(N)CC2)CC1
InChIInChI=1S/C14H21N3/c1-10-3-6-13(7-4-10)16-17-14-8-5-12(15)9-11(14)2/h3,6,9,16-17H,4-5,7-8,15H2,1-2H3
InChIKeyHOQSFOSTBDGEPP-UHFFFAOYSA-N
XLogP2.62
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine?
The IUPAC name of 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine (CID 71248627) is 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine?
The canonical SMILES for 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine is CC1=CC=C(NNC2=C(C)C=C(N)CC2)CC1.
What is the InChIKey of 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine?
The InChIKey is HOQSFOSTBDGEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10-3-6-13(7-4-10)16-17-14-8-5-12(15)9-11(14)2/h3,6,9,16-17H,4-5,7-8,15H2,1-2H3.
What are the key properties of 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine?
3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine has a molecular weight of 231.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-(4-methylcyclohexa-1,3-dien-1-yl)hydrazinyl]cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 71248627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).