4-methyl-1H-azepin-2-amine

C7H10N2 — CID 68901032

IUPAC4-methyl-1H-azepin-2-amine
SMILESCC1=CC=CNC(N)=C1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2-5,9H,8H2,1H3
InChIKeyMLUBUAMOKXUJKO-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.85
Rot. Bonds

About 4-methyl-1H-azepin-2-amine

4-methyl-1H-azepin-2-amine (PubChem CID 68901032) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methyl-1H-azepin-2-amine.

Molecular Properties

Compound Name4-methyl-1H-azepin-2-amine
PubChem CID68901032
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-methyl-1H-azepin-2-amine
SMILESCC1=CC=CNC(N)=C1
InChIInChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2-5,9H,8H2,1H3
InChIKeyMLUBUAMOKXUJKO-UHFFFAOYSA-N
XLogP0.85
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1H-azepin-2-amine?
The IUPAC name of 4-methyl-1H-azepin-2-amine (CID 68901032) is 4-methyl-1H-azepin-2-amine.
What is the SMILES notation for 4-methyl-1H-azepin-2-amine?
The canonical SMILES for 4-methyl-1H-azepin-2-amine is CC1=CC=CNC(N)=C1.
What is the InChIKey of 4-methyl-1H-azepin-2-amine?
The InChIKey is MLUBUAMOKXUJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-6-3-2-4-9-7(8)5-6/h2-5,9H,8H2,1H3.
What are the key properties of 4-methyl-1H-azepin-2-amine?
4-methyl-1H-azepin-2-amine has a molecular weight of 122.17 g/mol, XLogP of 0.85, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1H-azepin-2-amine is sourced from PubChem (CID 68901032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).