2,6-dihydroazepin-3-imine

C6H8N2 — CID 57316147

IUPAC2,6-dihydroazepin-3-imine
SMILES[H]/N=C1\C=CCC=NC1
InChIInChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1,3-4,7H,2,5H2/b7-6+
InChIKeyVQTJLTRIWKOJTQ-VOTSOKGWSA-N
MW108.14 g/mol
LogP1.04
Rot. Bonds

About 2,6-dihydroazepin-3-imine

2,6-dihydroazepin-3-imine (PubChem CID 57316147) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2,6-dihydroazepin-3-imine.

Molecular Properties

Compound Name2,6-dihydroazepin-3-imine
PubChem CID57316147
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2,6-dihydroazepin-3-imine
SMILES[H]/N=C1\C=CCC=NC1
InChIInChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1,3-4,7H,2,5H2/b7-6+
InChIKeyVQTJLTRIWKOJTQ-VOTSOKGWSA-N
XLogP1.04
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.04
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

7-Fluoro-2,3-dihydroazepin-6-imine
CID 123993900
4H-azepin-2-amine
CID 15128281
3-Iminopyridine
CID 21332821
Pent-2-ene-1,5-diimine
CID 53718158
(Z)-pent-2-ene-1,4-diimine
CID 59089718
2,3-Dihydropyridin-6-ylmethanamine
CID 70426662
N-methyl-2H-pyridin-3-imine
CID 70547200
N,N'-dimethylpent-2-ene-1,5-diimine
CID 85959556
N-(3-pyridylidene)-ethylamine
CID 86750054
(Z)-hex-2-ene-1,4-diimine
CID 88171021
2,3-Dihydropyridin-2-ylmethanimine
CID 89629597
(Z)-4-N-methylpent-2-ene-1,4-diimine
CID 90308470

Frequently Asked Questions

What is the IUPAC name of 2,6-dihydroazepin-3-imine?
The IUPAC name of 2,6-dihydroazepin-3-imine (CID 57316147) is 2,6-dihydroazepin-3-imine.
What is the SMILES notation for 2,6-dihydroazepin-3-imine?
The canonical SMILES for 2,6-dihydroazepin-3-imine is [H]/N=C1\C=CCC=NC1.
What is the InChIKey of 2,6-dihydroazepin-3-imine?
The InChIKey is VQTJLTRIWKOJTQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H8N2/c7-6-3-1-2-4-8-5-6/h1,3-4,7H,2,5H2/b7-6+.
What are the key properties of 2,6-dihydroazepin-3-imine?
2,6-dihydroazepin-3-imine has a molecular weight of 108.14 g/mol, XLogP of 1.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dihydroazepin-3-imine is sourced from PubChem (CID 57316147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).