3,3-dimethyl-2H-azepin-6-imine

C8H12N2 — CID 90915516

IUPAC3,3-dimethyl-2H-azepin-6-imine
SMILES[H]/N=C1/C=CC(C)(C)CN=C1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-7(9)5-10-6-8/h3-5,9H,6H2,1-2H3/b9-7-
InChIKeyXSTZIFOZLXNYGV-CLFYSBASSA-N
MW136.20 g/mol
LogP1.67
Rot. Bonds

About 3,3-dimethyl-2H-azepin-6-imine

3,3-dimethyl-2H-azepin-6-imine (PubChem CID 90915516) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3,3-dimethyl-2H-azepin-6-imine.

Molecular Properties

Compound Name3,3-dimethyl-2H-azepin-6-imine
PubChem CID90915516
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3,3-dimethyl-2H-azepin-6-imine
SMILES[H]/N=C1/C=CC(C)(C)CN=C1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-7(9)5-10-6-8/h3-5,9H,6H2,1-2H3/b9-7-
InChIKeyXSTZIFOZLXNYGV-CLFYSBASSA-N
XLogP1.67
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dihydroazepin-3-imine
CID 57316147
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470
2-(3-Methyl-2,3-dihydropyridin-6-yl)ethanimine
CID 91543347
(Z)-1-N-methylpent-2-ene-1,4-diimine
CID 118133026
(Z)-N-propan-2-ylpent-2-ene-1,5-diimine
CID 123230561
4-N,9-dimethyldeca-2,7-diene-1,4-diimine
CID 123259885
(Z)-1-N-methylpent-3-ene-1,2-diimine
CID 123260157
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
CID 123329124
6-imino-3-methyl-2H-azepin-3-amine
CID 123670474
2-methanimidoyl-N-methylcyclohepta-2,4,6-trien-1-imine
CID 123712431
2-N-methyl-3-methylidenehept-4-ene-1,2-diimine
CID 123728805
2-Methanimidoyl-5,5-dimethylcyclohepta-2,6-dien-1-imine
CID 123835710

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2H-azepin-6-imine?
The IUPAC name of 3,3-dimethyl-2H-azepin-6-imine (CID 90915516) is 3,3-dimethyl-2H-azepin-6-imine.
What is the SMILES notation for 3,3-dimethyl-2H-azepin-6-imine?
The canonical SMILES for 3,3-dimethyl-2H-azepin-6-imine is [H]/N=C1/C=CC(C)(C)CN=C1.
What is the InChIKey of 3,3-dimethyl-2H-azepin-6-imine?
The InChIKey is XSTZIFOZLXNYGV-CLFYSBASSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2)4-3-7(9)5-10-6-8/h3-5,9H,6H2,1-2H3/b9-7-.
What are the key properties of 3,3-dimethyl-2H-azepin-6-imine?
3,3-dimethyl-2H-azepin-6-imine has a molecular weight of 136.20 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-azepin-6-imine is sourced from PubChem (CID 90915516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).