2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine

C13H18N2 — CID 70904874

IUPAC2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine
SMILESCC1=CC(NC2=CC=CCC2)=C(N)CC1
InChIInChI=1S/C13H18N2/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-3,5,9,15H,4,6-8,14H2,1H3
InChIKeyFVTLCYQXOKQEDA-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.72
Rot. Bonds2

About 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine

2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine (PubChem CID 70904874) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine
PubChem CID70904874
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine
SMILESCC1=CC(NC2=CC=CCC2)=C(N)CC1
InChIInChI=1S/C13H18N2/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-3,5,9,15H,4,6-8,14H2,1H3
InChIKeyFVTLCYQXOKQEDA-UHFFFAOYSA-N
XLogP2.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine?
The IUPAC name of 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine (CID 70904874) is 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine.
What is the SMILES notation for 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine?
The canonical SMILES for 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine is CC1=CC(NC2=CC=CCC2)=C(N)CC1.
What is the InChIKey of 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine?
The InChIKey is FVTLCYQXOKQEDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10-7-8-12(14)13(9-10)15-11-5-3-2-4-6-11/h2-3,5,9,15H,4,6-8,14H2,1H3.
What are the key properties of 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine?
2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine has a molecular weight of 202.30 g/mol, XLogP of 2.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexa-1,3-dien-1-yl-4-methylcyclohexa-1,3-diene-1,2-diamine is sourced from PubChem (CID 70904874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).