2,4-dimethylazepin-4-amine

C8H12N2 — CID 126635964

IUPAC2,4-dimethylazepin-4-amine
SMILESCC1=CC(C)(N)C=CC=N1
InChIInChI=1S/C8H12N2/c1-7-6-8(2,9)4-3-5-10-7/h3-6H,9H2,1-2H3
InChIKeyFCRKNPPABJIWRS-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.25
Rot. Bonds

About 2,4-dimethylazepin-4-amine

2,4-dimethylazepin-4-amine (PubChem CID 126635964) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2,4-dimethylazepin-4-amine.

Molecular Properties

Compound Name2,4-dimethylazepin-4-amine
PubChem CID126635964
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2,4-dimethylazepin-4-amine
SMILESCC1=CC(C)(N)C=CC=N1
InChIInChI=1S/C8H12N2/c1-7-6-8(2,9)4-3-5-10-7/h3-6H,9H2,1-2H3
InChIKeyFCRKNPPABJIWRS-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylazepin-4-amine?
The IUPAC name of 2,4-dimethylazepin-4-amine (CID 126635964) is 2,4-dimethylazepin-4-amine.
What is the SMILES notation for 2,4-dimethylazepin-4-amine?
The canonical SMILES for 2,4-dimethylazepin-4-amine is CC1=CC(C)(N)C=CC=N1.
What is the InChIKey of 2,4-dimethylazepin-4-amine?
The InChIKey is FCRKNPPABJIWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-6-8(2,9)4-3-5-10-7/h3-6H,9H2,1-2H3.
What are the key properties of 2,4-dimethylazepin-4-amine?
2,4-dimethylazepin-4-amine has a molecular weight of 136.20 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethylazepin-4-amine is sourced from PubChem (CID 126635964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).