1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine

C13H16N2 — CID 141057512

IUPAC1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCc1ccc(C2(N)C=CC=CC2N)cc1
InChIInChI=1S/C13H16N2/c1-10-5-7-11(8-6-10)13(15)9-3-2-4-12(13)14/h2-9,12H,14-15H2,1H3
InChIKeyMEQDEZGIJXJPMI-UHFFFAOYSA-N
MW200.28 g/mol
LogP1.60
Rot. Bonds1

About 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine

1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine (PubChem CID 141057512) has the molecular formula C13H16N2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine
PubChem CID141057512
Molecular FormulaC13H16N2
Molecular Weight200.28 g/mol
Exact Mass200.13
IUPAC Name1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine
SMILESCc1ccc(C2(N)C=CC=CC2N)cc1
InChIInChI=1S/C13H16N2/c1-10-5-7-11(8-6-10)13(15)9-3-2-4-12(13)14/h2-9,12H,14-15H2,1H3
InChIKeyMEQDEZGIJXJPMI-UHFFFAOYSA-N
XLogP1.60
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine (CID 141057512) is 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine is Cc1ccc(C2(N)C=CC=CC2N)cc1.
What is the InChIKey of 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
The InChIKey is MEQDEZGIJXJPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2/c1-10-5-7-11(8-6-10)13(15)9-3-2-4-12(13)14/h2-9,12H,14-15H2,1H3.
What are the key properties of 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine?
1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine has a molecular weight of 200.28 g/mol, XLogP of 1.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)cyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 141057512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).