6-methyl-2-methylidene-3,4-dihydroazepin-7-amine

C8H12N2 — CID 130446159

IUPAC6-methyl-2-methylidene-3,4-dihydroazepin-7-amine
SMILESC=C1CCC=C(C)C(N)=N1
InChIInChI=1S/C8H12N2/c1-6-4-3-5-7(2)10-8(6)9/h4H,2-3,5H2,1H3,(H2,9,10)
InChIKeyNVQKLXQWKPZJAS-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.60
Rot. Bonds

About 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine

6-methyl-2-methylidene-3,4-dihydroazepin-7-amine (PubChem CID 130446159) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine.

Molecular Properties

Compound Name6-methyl-2-methylidene-3,4-dihydroazepin-7-amine
PubChem CID130446159
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name6-methyl-2-methylidene-3,4-dihydroazepin-7-amine
SMILESC=C1CCC=C(C)C(N)=N1
InChIInChI=1S/C8H12N2/c1-6-4-3-5-7(2)10-8(6)9/h4H,2-3,5H2,1H3,(H2,9,10)
InChIKeyNVQKLXQWKPZJAS-UHFFFAOYSA-N
XLogP1.60
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine?
The IUPAC name of 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine (CID 130446159) is 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine.
What is the SMILES notation for 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine?
The canonical SMILES for 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine is C=C1CCC=C(C)C(N)=N1.
What is the InChIKey of 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine?
The InChIKey is NVQKLXQWKPZJAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6-4-3-5-7(2)10-8(6)9/h4H,2-3,5H2,1H3,(H2,9,10).
What are the key properties of 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine?
6-methyl-2-methylidene-3,4-dihydroazepin-7-amine has a molecular weight of 136.20 g/mol, XLogP of 1.60, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-methylidene-3,4-dihydroazepin-7-amine is sourced from PubChem (CID 130446159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).