4-methyl-3,4-dihydroazepin-2-imine

C7H10N2 — CID 90799466

IUPAC4-methyl-3,4-dihydroazepin-2-imine
SMILES[H]/N=C1/CC(C)C=CC=N1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2-4,6,8H,5H2,1H3/b8-7-
InChIKeyMMCNRYIZOSBXRI-FPLPWBNLSA-N
MW122.17 g/mol
LogP1.63
Rot. Bonds

About 4-methyl-3,4-dihydroazepin-2-imine

4-methyl-3,4-dihydroazepin-2-imine (PubChem CID 90799466) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methyl-3,4-dihydroazepin-2-imine.

Molecular Properties

Compound Name4-methyl-3,4-dihydroazepin-2-imine
PubChem CID90799466
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-methyl-3,4-dihydroazepin-2-imine
SMILES[H]/N=C1/CC(C)C=CC=N1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2-4,6,8H,5H2,1H3/b8-7-
InChIKeyMMCNRYIZOSBXRI-FPLPWBNLSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylpyrrole-2-carboximidamide
CID 57210060
3,3-dimethyl-4H-azepin-7-imine
CID 91002453
6-Cyclopropyl-3,4-dihydroazepin-2-imine
CID 123190073
3-Ethyl-2,3-dihydropyridine-6-carboximidamide
CID 123563688
N-[(Z)-4-methylpent-2-enylidene]ethanimidamide
CID 126635596
N-[(Z)-4-methylpent-2-enylidene]methanimidamide
CID 141872616
Azepine-2,4-diimine
CID 151609983
N-[(Z)-4-methylhex-2-enylidene]prop-2-enimidamide
CID 163954288
3,3-Dimethylpyridin-2-imine
CID 166980590
N-[(Z)-5-methylhex-2-enylidene]methanimidamide
CID 178088565
3-methyl-3,4-dihydro-2H-azepin-7-amine
CID 143009817
N-[(Z)-pent-2-enylidene]ethanimidamide
CID 147965285

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-dihydroazepin-2-imine?
The IUPAC name of 4-methyl-3,4-dihydroazepin-2-imine (CID 90799466) is 4-methyl-3,4-dihydroazepin-2-imine.
What is the SMILES notation for 4-methyl-3,4-dihydroazepin-2-imine?
The canonical SMILES for 4-methyl-3,4-dihydroazepin-2-imine is [H]/N=C1/CC(C)C=CC=N1.
What is the InChIKey of 4-methyl-3,4-dihydroazepin-2-imine?
The InChIKey is MMCNRYIZOSBXRI-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2-4,6,8H,5H2,1H3/b8-7-.
What are the key properties of 4-methyl-3,4-dihydroazepin-2-imine?
4-methyl-3,4-dihydroazepin-2-imine has a molecular weight of 122.17 g/mol, XLogP of 1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-dihydroazepin-2-imine is sourced from PubChem (CID 90799466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).