7-methylazepin-2-imine

C7H8N2 — CID 123916247

IUPAC7-methylazepin-2-imine
SMILES[H]/N=c1\ccccc(C)n1
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-7(8)9-6/h2-5,8H,1H3/b8-7+
InChIKeyYGLBVFIOXGXCQL-BQYQJAHWSA-N
MW120.15 g/mol
LogP0.87
Rot. Bonds

About 7-methylazepin-2-imine

7-methylazepin-2-imine (PubChem CID 123916247) has the molecular formula C7H8N2 and a molecular weight of 120.15 g/mol. Its IUPAC name is 7-methylazepin-2-imine.

Molecular Properties

Compound Name7-methylazepin-2-imine
PubChem CID123916247
Molecular FormulaC7H8N2
Molecular Weight120.15 g/mol
Exact Mass120.07
IUPAC Name7-methylazepin-2-imine
SMILES[H]/N=c1\ccccc(C)n1
InChIInChI=1S/C7H8N2/c1-6-4-2-3-5-7(8)9-6/h2-5,8H,1H3/b8-7+
InChIKeyYGLBVFIOXGXCQL-BQYQJAHWSA-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

Iminobenzazepine
CID 129797699
7,7-Dimethylazepin-2-amine
CID 67756668
(6-Methyl-5-methylidene-2-pyridinylidene)azanium
CID 90829837
N-[(E)-hex-3-en-2-ylidene]ethanimidamide
CID 122691937
N-[(Z)-pent-3-en-2-ylidene]ethanimidamide
CID 143830339
ethane;(3Z)-2-iminohexa-3,5-dienimidamide
CID 145093635
(3Z,5Z)-2-iminohepta-3,5-dienimidamide
CID 147334801
(3Z)-3-ethylidene-6-methylpyridin-2-imine
CID 156327092
(2Z,4Z)-hepta-2,4-dienimidamide
CID 173980399
Cyclohepta[b]pyridin-2-imine
CID 176071293
6-Methylpyridin-2(5H)-imine
CID 71415991
6-Methylpyridin-2(3H)-imine
CID 71415992

Frequently Asked Questions

What is the IUPAC name of 7-methylazepin-2-imine?
The IUPAC name of 7-methylazepin-2-imine (CID 123916247) is 7-methylazepin-2-imine.
What is the SMILES notation for 7-methylazepin-2-imine?
The canonical SMILES for 7-methylazepin-2-imine is [H]/N=c1\ccccc(C)n1.
What is the InChIKey of 7-methylazepin-2-imine?
The InChIKey is YGLBVFIOXGXCQL-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H8N2/c1-6-4-2-3-5-7(8)9-6/h2-5,8H,1H3/b8-7+.
What are the key properties of 7-methylazepin-2-imine?
7-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 7-methylazepin-2-imine is sourced from PubChem (CID 123916247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).