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

C7H12N2 — CID 55284788

IUPAC1-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1(N)C=CC=C(N)C1
InChIInChI=1S/C7H12N2/c1-7(9)4-2-3-6(8)5-7/h2-4H,5,8-9H2,1H3
InChIKeyPZKPUGIOJKNRQZ-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.51
Rot. Bonds

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

1-methylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 55284788) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 1-methylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name1-methylcyclohexa-3,5-diene-1,3-diamine
PubChem CID55284788
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name1-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1(N)C=CC=C(N)C1
InChIInChI=1S/C7H12N2/c1-7(9)4-2-3-6(8)5-7/h2-4H,5,8-9H2,1H3
InChIKeyPZKPUGIOJKNRQZ-UHFFFAOYSA-N
XLogP0.51
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 ≤ 50.51
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-1,3-diamine?
The IUPAC name of 1-methylcyclohexa-3,5-diene-1,3-diamine (CID 55284788) is 1-methylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 1-methylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 1-methylcyclohexa-3,5-diene-1,3-diamine is CC1(N)C=CC=C(N)C1.
What is the InChIKey of 1-methylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is PZKPUGIOJKNRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-7(9)4-2-3-6(8)5-7/h2-4H,5,8-9H2,1H3.
What are the key properties of 1-methylcyclohexa-3,5-diene-1,3-diamine?
1-methylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.51, 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-1,3-diamine is sourced from PubChem (CID 55284788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).