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

C7H12N2 — CID 23355706

IUPAC2-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1C(N)=CC=CC1N
InChIInChI=1S/C7H12N2/c1-5-6(8)3-2-4-7(5)9/h2-6H,8-9H2,1H3
InChIKeyJDZCEBWBCMHWPR-UHFFFAOYSA-N
MW124.19 g/mol
LogP0.36
Rot. Bonds

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

2-methylcyclohexa-3,5-diene-1,3-diamine (PubChem CID 23355706) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2-methylcyclohexa-3,5-diene-1,3-diamine.

Molecular Properties

Compound Name2-methylcyclohexa-3,5-diene-1,3-diamine
PubChem CID23355706
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2-methylcyclohexa-3,5-diene-1,3-diamine
SMILESCC1C(N)=CC=CC1N
InChIInChI=1S/C7H12N2/c1-5-6(8)3-2-4-7(5)9/h2-6H,8-9H2,1H3
InChIKeyJDZCEBWBCMHWPR-UHFFFAOYSA-N
XLogP0.36
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 ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexa-3,5-diene-1,3-diamine?
The IUPAC name of 2-methylcyclohexa-3,5-diene-1,3-diamine (CID 23355706) is 2-methylcyclohexa-3,5-diene-1,3-diamine.
What is the SMILES notation for 2-methylcyclohexa-3,5-diene-1,3-diamine?
The canonical SMILES for 2-methylcyclohexa-3,5-diene-1,3-diamine is CC1C(N)=CC=CC1N.
What is the InChIKey of 2-methylcyclohexa-3,5-diene-1,3-diamine?
The InChIKey is JDZCEBWBCMHWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5-6(8)3-2-4-7(5)9/h2-6H,8-9H2,1H3.
What are the key properties of 2-methylcyclohexa-3,5-diene-1,3-diamine?
2-methylcyclohexa-3,5-diene-1,3-diamine has a molecular weight of 124.19 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexa-3,5-diene-1,3-diamine is sourced from PubChem (CID 23355706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).