1,7-dimethylazepin-2-amine

C8H12N2 — CID 131994182

IUPAC1,7-dimethylazepin-2-amine
SMILESCC1=CC=CC=C(N)N1C
InChIInChI=1S/C8H12N2/c1-7-5-3-4-6-8(9)10(7)2/h3-6H,9H2,1-2H3
InChIKeyINABCWHRIISISH-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.19
Rot. Bonds

About 1,7-dimethylazepin-2-amine

1,7-dimethylazepin-2-amine (PubChem CID 131994182) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1,7-dimethylazepin-2-amine.

Molecular Properties

Compound Name1,7-dimethylazepin-2-amine
PubChem CID131994182
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1,7-dimethylazepin-2-amine
SMILESCC1=CC=CC=C(N)N1C
InChIInChI=1S/C8H12N2/c1-7-5-3-4-6-8(9)10(7)2/h3-6H,9H2,1-2H3
InChIKeyINABCWHRIISISH-UHFFFAOYSA-N
XLogP1.19
TPSA29.26 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 ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,7-dimethylazepin-2-amine?
The IUPAC name of 1,7-dimethylazepin-2-amine (CID 131994182) is 1,7-dimethylazepin-2-amine.
What is the SMILES notation for 1,7-dimethylazepin-2-amine?
The canonical SMILES for 1,7-dimethylazepin-2-amine is CC1=CC=CC=C(N)N1C.
What is the InChIKey of 1,7-dimethylazepin-2-amine?
The InChIKey is INABCWHRIISISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-7-5-3-4-6-8(9)10(7)2/h3-6H,9H2,1-2H3.
What are the key properties of 1,7-dimethylazepin-2-amine?
1,7-dimethylazepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.19, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethylazepin-2-amine is sourced from PubChem (CID 131994182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).