3-methyl-4H-azepin-7-amine

C7H10N2 — CID 142163247

IUPAC3-methyl-4H-azepin-7-amine
SMILESCC1=CN=C(N)C=CC1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-7(8)9-5-6/h2,4-5H,3H2,1H3,(H2,8,9)
InChIKeyFLPXHKWWQVAPHJ-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.21
Rot. Bonds

About 3-methyl-4H-azepin-7-amine

3-methyl-4H-azepin-7-amine (PubChem CID 142163247) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 3-methyl-4H-azepin-7-amine.

Molecular Properties

Compound Name3-methyl-4H-azepin-7-amine
PubChem CID142163247
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name3-methyl-4H-azepin-7-amine
SMILESCC1=CN=C(N)C=CC1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-7(8)9-5-6/h2,4-5H,3H2,1H3,(H2,8,9)
InChIKeyFLPXHKWWQVAPHJ-UHFFFAOYSA-N
XLogP1.21
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4H-azepin-7-amine?
The IUPAC name of 3-methyl-4H-azepin-7-amine (CID 142163247) is 3-methyl-4H-azepin-7-amine.
What is the SMILES notation for 3-methyl-4H-azepin-7-amine?
The canonical SMILES for 3-methyl-4H-azepin-7-amine is CC1=CN=C(N)C=CC1.
What is the InChIKey of 3-methyl-4H-azepin-7-amine?
The InChIKey is FLPXHKWWQVAPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-2-4-7(8)9-5-6/h2,4-5H,3H2,1H3,(H2,8,9).
What are the key properties of 3-methyl-4H-azepin-7-amine?
3-methyl-4H-azepin-7-amine has a molecular weight of 122.17 g/mol, XLogP of 1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4H-azepin-7-amine is sourced from PubChem (CID 142163247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).