1-methylazepin-3-amine

C7H10N2 — CID 69153051

IUPAC1-methylazepin-3-amine
SMILESCN1C=CC=CC(N)=C1
InChIInChI=1S/C7H10N2/c1-9-5-3-2-4-7(8)6-9/h2-6H,8H2,1H3
InChIKeyVRQMXPQSTWRGRT-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.80
Rot. Bonds

About 1-methylazepin-3-amine

1-methylazepin-3-amine (PubChem CID 69153051) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 1-methylazepin-3-amine.

Molecular Properties

Compound Name1-methylazepin-3-amine
PubChem CID69153051
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name1-methylazepin-3-amine
SMILESCN1C=CC=CC(N)=C1
InChIInChI=1S/C7H10N2/c1-9-5-3-2-4-7(8)6-9/h2-6H,8H2,1H3
InChIKeyVRQMXPQSTWRGRT-UHFFFAOYSA-N
XLogP0.80
TPSA29.26 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 ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylazepin-3-amine?
The IUPAC name of 1-methylazepin-3-amine (CID 69153051) is 1-methylazepin-3-amine.
What is the SMILES notation for 1-methylazepin-3-amine?
The canonical SMILES for 1-methylazepin-3-amine is CN1C=CC=CC(N)=C1.
What is the InChIKey of 1-methylazepin-3-amine?
The InChIKey is VRQMXPQSTWRGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-9-5-3-2-4-7(8)6-9/h2-6H,8H2,1H3.
What are the key properties of 1-methylazepin-3-amine?
1-methylazepin-3-amine has a molecular weight of 122.17 g/mol, XLogP of 0.80, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylazepin-3-amine is sourced from PubChem (CID 69153051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).