3-methylazepin-2-imine

C7H8N2 — CID 19369244

IUPAC3-methylazepin-2-imine
SMILES[H]/N=c1\nccccc1C
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-9-7(6)8/h2-5,8H,1H3/b8-7-
InChIKeyNMZZBQBEAGFTCS-FPLPWBNLSA-N
MW120.15 g/mol
LogP0.87
Rot. Bonds

About 3-methylazepin-2-imine

3-methylazepin-2-imine (PubChem CID 19369244) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 3-methylazepin-2-imine.

Molecular Properties

Compound Name3-methylazepin-2-imine
PubChem CID19369244
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name3-methylazepin-2-imine
SMILES[H]/N=c1\nccccc1C
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-9-7(6)8/h2-5,8H,1H3/b8-7-
InChIKeyNMZZBQBEAGFTCS-FPLPWBNLSA-N
XLogP0.87
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Azepin-2-imine
CID 18800810
3-Methylpyrrol-2-imine
CID 66915215
N-(3-methylbut-2-enylidene)propanimidamide
CID 89170047
(3Z)-3-ethylidenepyridin-2-imine
CID 89254996
(3Z)-3-[(Z)-pent-3-en-2-ylidene]pyridin-2-imine
CID 117616998
N-[(Z)-2-methylbut-2-enylidene]ethanimidamide
CID 118018706
2-methylidene-N-propylidenebut-3-enimidamide
CID 122448002
(E)-2-(methyliminomethyl)but-2-enimidamide
CID 123972888
(3Z)-3-propylidenepyridin-2-imine
CID 134511042
(2E,4Z)-N-[[[(2E,4Z)-hepta-2,4,6-trienylidene]amino]methylidene]-2-methylhexa-2,4-dienimidamide
CID 138714824
(3E)-3-ethylidenepyridin-2-imine
CID 139385561
Azepin-2-imine;hydrochloride
CID 140986438

Frequently Asked Questions

What is the IUPAC name of 3-methylazepin-2-imine?
The IUPAC name of 3-methylazepin-2-imine (CID 19369244) is 3-methylazepin-2-imine.
What is the SMILES notation for 3-methylazepin-2-imine?
The canonical SMILES for 3-methylazepin-2-imine is [H]/N=c1\nccccc1C.
What is the InChIKey of 3-methylazepin-2-imine?
The InChIKey is NMZZBQBEAGFTCS-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-4-2-3-5-9-7(6)8/h2-5,8H,1H3/b8-7-.
What are the key properties of 3-methylazepin-2-imine?
3-methylazepin-2-imine has a molecular weight of 120.15 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazepin-2-imine is sourced from PubChem (CID 19369244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).