6-imino-5-methylcyclohexa-2,4-dien-1-amine

C7H10N2 — CID 173082629

IUPAC6-imino-5-methylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1\C(C)=CC=CC1N
InChIInChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4,6,9H,8H2,1H3/b9-7+
InChIKeyRBXKMTWPVHJKJZ-VQHVLOKHSA-N
MW122.17 g/mol
LogP0.85
Rot. Bonds

About 6-imino-5-methylcyclohexa-2,4-dien-1-amine

6-imino-5-methylcyclohexa-2,4-dien-1-amine (PubChem CID 173082629) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 6-imino-5-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-imino-5-methylcyclohexa-2,4-dien-1-amine
PubChem CID173082629
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name6-imino-5-methylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1\C(C)=CC=CC1N
InChIInChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4,6,9H,8H2,1H3/b9-7+
InChIKeyRBXKMTWPVHJKJZ-VQHVLOKHSA-N
XLogP0.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-imino-5-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-imino-5-methylcyclohexa-2,4-dien-1-amine (CID 173082629) is 6-imino-5-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-imino-5-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-imino-5-methylcyclohexa-2,4-dien-1-amine is [H]/N=C1\C(C)=CC=CC1N.
What is the InChIKey of 6-imino-5-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is RBXKMTWPVHJKJZ-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H10N2/c1-5-3-2-4-6(8)7(5)9/h2-4,6,9H,8H2,1H3/b9-7+.
What are the key properties of 6-imino-5-methylcyclohexa-2,4-dien-1-amine?
6-imino-5-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 122.17 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-5-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 173082629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).