2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine

C8H12N2 — CID 88905588

IUPAC2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C/C1=CC=CCC1NC
InChIInChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9/h2-4,6,8-10H,5H2,1H3/b9-6+
InChIKeyQIVHYHOHYMIZAK-RMKNXTFCSA-N
MW136.20 g/mol
LogP1.11
Rot. Bonds2

About 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine

2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine (PubChem CID 88905588) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
PubChem CID88905588
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine
SMILES[H]/N=C/C1=CC=CCC1NC
InChIInChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9/h2-4,6,8-10H,5H2,1H3/b9-6+
InChIKeyQIVHYHOHYMIZAK-RMKNXTFCSA-N
XLogP1.11
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.11
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 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine (CID 88905588) is 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine is [H]/N=C/C1=CC=CCC1NC.
What is the InChIKey of 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine?
The InChIKey is QIVHYHOHYMIZAK-RMKNXTFCSA-N. The full InChI is InChI=1S/C8H12N2/c1-10-8-5-3-2-4-7(8)6-9/h2-4,6,8-10H,5H2,1H3/b9-6+.
What are the key properties of 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine?
2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methanimidoyl-N-methylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 88905588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).