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

C8H11N2+ — CID 136918426

IUPAC3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1\C=C(N(C)C)C=C[CH+]1
InChIInChI=1S/C8H11N2/c1-10(2)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3/q+1/b9-7-
InChIKeyDRQGFFVIIZYNEG-CLFYSBASSA-N
MW135.19 g/mol
LogP1.23
Rot. Bonds1

About 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine

3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine (PubChem CID 136918426) has the molecular formula C8H11N2+ and a molecular weight of 135.19 g/mol. Its IUPAC name is 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
PubChem CID136918426
Molecular FormulaC8H11N2+
Molecular Weight135.19 g/mol
Exact Mass135.09
IUPAC Name3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine
SMILES[H]/N=C1\C=C(N(C)C)C=C[CH+]1
InChIInChI=1S/C8H11N2/c1-10(2)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3/q+1/b9-7-
InChIKeyDRQGFFVIIZYNEG-CLFYSBASSA-N
XLogP1.23
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.19
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The IUPAC name of 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine (CID 136918426) is 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine is [H]/N=C1\C=C(N(C)C)C=C[CH+]1.
What is the InChIKey of 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
The InChIKey is DRQGFFVIIZYNEG-CLFYSBASSA-N. The full InChI is InChI=1S/C8H11N2/c1-10(2)8-5-3-4-7(9)6-8/h3-6,9H,1-2H3/q+1/b9-7-.
What are the key properties of 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine?
3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine has a molecular weight of 135.19 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-N,N-dimethylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 136918426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).