4-methylazepin-4-amine

C7H10N2 — CID 69476902

IUPAC4-methylazepin-4-amine
SMILESCC1(N)C=CC=NC=C1
InChIInChI=1S/C7H10N2/c1-7(8)3-2-5-9-6-4-7/h2-6H,8H2,1H3
InChIKeyWFTUANCKNOJWAA-UHFFFAOYSA-N
MW122.17 g/mol
LogP0.86
Rot. Bonds

About 4-methylazepin-4-amine

4-methylazepin-4-amine (PubChem CID 69476902) has the molecular formula C7H10N2 and a molecular weight of 122.17 g/mol. Its IUPAC name is 4-methylazepin-4-amine.

Molecular Properties

Compound Name4-methylazepin-4-amine
PubChem CID69476902
Molecular FormulaC7H10N2
Molecular Weight122.17 g/mol
Exact Mass122.08
IUPAC Name4-methylazepin-4-amine
SMILESCC1(N)C=CC=NC=C1
InChIInChI=1S/C7H10N2/c1-7(8)3-2-5-9-6-4-7/h2-6H,8H2,1H3
InChIKeyWFTUANCKNOJWAA-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylazepin-4-amine?
The IUPAC name of 4-methylazepin-4-amine (CID 69476902) is 4-methylazepin-4-amine.
What is the SMILES notation for 4-methylazepin-4-amine?
The canonical SMILES for 4-methylazepin-4-amine is CC1(N)C=CC=NC=C1.
What is the InChIKey of 4-methylazepin-4-amine?
The InChIKey is WFTUANCKNOJWAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2/c1-7(8)3-2-5-9-6-4-7/h2-6H,8H2,1H3.
What are the key properties of 4-methylazepin-4-amine?
4-methylazepin-4-amine has a molecular weight of 122.17 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylazepin-4-amine is sourced from PubChem (CID 69476902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).