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

C8H12N2 — CID 89331862

IUPAC6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1\C(C)=CC=C(C)C1N
InChIInChI=1S/C8H12N2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7,10H,9H2,1-2H3/b10-8+
InChIKeyVLAMKDLFTYIEGT-CSKARUKUSA-N
MW136.20 g/mol
LogP1.24
Rot. Bonds

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

6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 89331862) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID89331862
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1\C(C)=CC=C(C)C1N
InChIInChI=1S/C8H12N2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7,10H,9H2,1-2H3/b10-8+
InChIKeyVLAMKDLFTYIEGT-CSKARUKUSA-N
XLogP1.24
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.24
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-2,5-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine (CID 89331862) is 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine is [H]/N=C1\C(C)=CC=C(C)C1N.
What is the InChIKey of 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is VLAMKDLFTYIEGT-CSKARUKUSA-N. The full InChI is InChI=1S/C8H12N2/c1-5-3-4-6(2)8(10)7(5)9/h3-4,7,10H,9H2,1-2H3/b10-8+.
What are the key properties of 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine?
6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.24, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-2,5-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 89331862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).