4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine

C8H12N2 — CID 19389506

IUPAC4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1/C=CC(N(C)C)=CC1
InChIInChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3,5-6,9H,4H2,1-2H3/b9-7-
InChIKeyMVHLFQODSWKVKL-CLFYSBASSA-N
MW136.20 g/mol
LogP1.41
Rot. Bonds1

About 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine

4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 19389506) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID19389506
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1/C=CC(N(C)C)=CC1
InChIInChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3,5-6,9H,4H2,1-2H3/b9-7-
InChIKeyMVHLFQODSWKVKL-CLFYSBASSA-N
XLogP1.41
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.41
H-Bond Donors ≤ 51
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 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 19389506) is 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine is [H]/N=C1/C=CC(N(C)C)=CC1.
What is the InChIKey of 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is MVHLFQODSWKVKL-CLFYSBASSA-N. The full InChI is InChI=1S/C8H12N2/c1-10(2)8-5-3-7(9)4-6-8/h3,5-6,9H,4H2,1-2H3/b9-7-.
What are the key properties of 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 136.20 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 19389506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).