2,2,6-trimethyl-3H-azepin-4-imine

C9H14N2 — CID 123549172

IUPAC2,2,6-trimethyl-3H-azepin-4-imine
SMILES[H]/N=C1\C=C(C)C=NC(C)(C)C1
InChIInChI=1S/C9H14N2/c1-7-4-8(10)5-9(2,3)11-6-7/h4,6,10H,5H2,1-3H3/b10-8+
InChIKeyOWKNJZKNSALFEB-CSKARUKUSA-N
MW150.22 g/mol
LogP2.21
Rot. Bonds

About 2,2,6-trimethyl-3H-azepin-4-imine

2,2,6-trimethyl-3H-azepin-4-imine (PubChem CID 123549172) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2,2,6-trimethyl-3H-azepin-4-imine.

Molecular Properties

Compound Name2,2,6-trimethyl-3H-azepin-4-imine
PubChem CID123549172
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2,2,6-trimethyl-3H-azepin-4-imine
SMILES[H]/N=C1\C=C(C)C=NC(C)(C)C1
InChIInChI=1S/C9H14N2/c1-7-4-8(10)5-9(2,3)11-6-7/h4,6,10H,5H2,1-3H3/b10-8+
InChIKeyOWKNJZKNSALFEB-CSKARUKUSA-N
XLogP2.21
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.21
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

3-(2-Methylpyrrol-2-yl)butan-2-imine
CID 57035429
(2Z)-2-ethylidene-3-N-methylhexane-1,3-diimine
CID 123422802
(2Z)-2-ethylidene-3-N-methylpentane-1,3-diimine
CID 123743575
(Z,2Z)-2-ethylidene-3-N-methylhex-4-ene-1,3-diimine
CID 123844789
[7-[(1E)-buta-1,3-dienyl]-4-methyl-3,6-dihydro-2H-azepin-5-yl]methanimine
CID 126612267
(Z,2Z)-2-(4,4-dimethylpentan-2-ylidene)-1-N-ethylhex-4-ene-1,3-diimine
CID 145242480
(3Z)-3-ethylidene-1-N-methylpentane-1,4-diimine
CID 146552741
ethane;3-N-ethyl-2-propan-2-ylidenepentane-1,3-diimine;prop-1-ene
CID 170732049
6-Methylhept-5-ene-1,4-diimine
CID 174406199
(Z)-2-propylpent-2-ene-1,4-diimine
CID 172235278

Frequently Asked Questions

What is the IUPAC name of 2,2,6-trimethyl-3H-azepin-4-imine?
The IUPAC name of 2,2,6-trimethyl-3H-azepin-4-imine (CID 123549172) is 2,2,6-trimethyl-3H-azepin-4-imine.
What is the SMILES notation for 2,2,6-trimethyl-3H-azepin-4-imine?
The canonical SMILES for 2,2,6-trimethyl-3H-azepin-4-imine is [H]/N=C1\C=C(C)C=NC(C)(C)C1.
What is the InChIKey of 2,2,6-trimethyl-3H-azepin-4-imine?
The InChIKey is OWKNJZKNSALFEB-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-8(10)5-9(2,3)11-6-7/h4,6,10H,5H2,1-3H3/b10-8+.
What are the key properties of 2,2,6-trimethyl-3H-azepin-4-imine?
2,2,6-trimethyl-3H-azepin-4-imine has a molecular weight of 150.22 g/mol, XLogP of 2.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6-trimethyl-3H-azepin-4-imine is sourced from PubChem (CID 123549172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).