1,3-dimethyl-3H-azepin-2-imine

C8H12N2 — CID 141023885

IUPAC1,3-dimethyl-3H-azepin-2-imine
SMILES[H]/N=C1\C(C)C=CC=CN1C
InChIInChI=1S/C8H12N2/c1-7-5-3-4-6-10(2)8(7)9/h3-7,9H,1-2H3/b9-8+
InChIKeyZDLSJLVURIQSQG-CMDGGOBGSA-N
MW136.20 g/mol
LogP1.62
Rot. Bonds

About 1,3-dimethyl-3H-azepin-2-imine

1,3-dimethyl-3H-azepin-2-imine (PubChem CID 141023885) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,3-dimethyl-3H-azepin-2-imine.

Molecular Properties

Compound Name1,3-dimethyl-3H-azepin-2-imine
PubChem CID141023885
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,3-dimethyl-3H-azepin-2-imine
SMILES[H]/N=C1\C(C)C=CC=CN1C
InChIInChI=1S/C8H12N2/c1-7-5-3-4-6-10(2)8(7)9/h3-7,9H,1-2H3/b9-8+
InChIKeyZDLSJLVURIQSQG-CMDGGOBGSA-N
XLogP1.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-3H-azepin-2-imine?
The IUPAC name of 1,3-dimethyl-3H-azepin-2-imine (CID 141023885) is 1,3-dimethyl-3H-azepin-2-imine.
What is the SMILES notation for 1,3-dimethyl-3H-azepin-2-imine?
The canonical SMILES for 1,3-dimethyl-3H-azepin-2-imine is [H]/N=C1\C(C)C=CC=CN1C.
What is the InChIKey of 1,3-dimethyl-3H-azepin-2-imine?
The InChIKey is ZDLSJLVURIQSQG-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-5-3-4-6-10(2)8(7)9/h3-7,9H,1-2H3/b9-8+.
What are the key properties of 1,3-dimethyl-3H-azepin-2-imine?
1,3-dimethyl-3H-azepin-2-imine has a molecular weight of 136.20 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-3H-azepin-2-imine is sourced from PubChem (CID 141023885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).