1-methylcyclohexa-3,5-diene-1,2-diamine

C7H12N2 — CID 55283794

IUPAC1-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1(N)C=CC=CC1N
InChIInChI=1S/C7H12N2/c1-7(9)5-3-2-4-6(7)8/h2-6H,8-9H2,1H3
InChIKeyZMBQZWCDYKGVLW-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.16
Rot. Bonds

About 1-methylcyclohexa-3,5-diene-1,2-diamine

1-methylcyclohexa-3,5-diene-1,2-diamine (PubChem CID 55283794) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-methylcyclohexa-3,5-diene-1,2-diamine.

Molecular Properties

Compound Name1-methylcyclohexa-3,5-diene-1,2-diamine
PubChem CID55283794
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-methylcyclohexa-3,5-diene-1,2-diamine
SMILESCC1(N)C=CC=CC1N
InChIInChI=1S/C7H12N2/c1-7(9)5-3-2-4-6(7)8/h2-6H,8-9H2,1H3
InChIKeyZMBQZWCDYKGVLW-UHFFFAOYSA-N
XLogP0.16
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylcyclohexa-3,5-diene-1,2-diamine?
The IUPAC name of 1-methylcyclohexa-3,5-diene-1,2-diamine (CID 55283794) is 1-methylcyclohexa-3,5-diene-1,2-diamine.
What is the SMILES notation for 1-methylcyclohexa-3,5-diene-1,2-diamine?
The canonical SMILES for 1-methylcyclohexa-3,5-diene-1,2-diamine is CC1(N)C=CC=CC1N.
What is the InChIKey of 1-methylcyclohexa-3,5-diene-1,2-diamine?
The InChIKey is ZMBQZWCDYKGVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(9)5-3-2-4-6(7)8/h2-6H,8-9H2,1H3.
What are the key properties of 1-methylcyclohexa-3,5-diene-1,2-diamine?
1-methylcyclohexa-3,5-diene-1,2-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclohexa-3,5-diene-1,2-diamine is sourced from PubChem (CID 55283794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).