5,5-dimethylazepin-2-amine

C8H12N2 — CID 123272233

IUPAC5,5-dimethylazepin-2-amine
SMILESCC1(C)C=CN=C(N)C=C1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-7(9)10-6-5-8/h3-6H,1-2H3,(H2,9,10)
InChIKeyARKXWCIFDXTMCB-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.45
Rot. Bonds

About 5,5-dimethylazepin-2-amine

5,5-dimethylazepin-2-amine (PubChem CID 123272233) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5,5-dimethylazepin-2-amine.

Molecular Properties

Compound Name5,5-dimethylazepin-2-amine
PubChem CID123272233
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5,5-dimethylazepin-2-amine
SMILESCC1(C)C=CN=C(N)C=C1
InChIInChI=1S/C8H12N2/c1-8(2)4-3-7(9)10-6-5-8/h3-6H,1-2H3,(H2,9,10)
InChIKeyARKXWCIFDXTMCB-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethylazepin-2-amine?
The IUPAC name of 5,5-dimethylazepin-2-amine (CID 123272233) is 5,5-dimethylazepin-2-amine.
What is the SMILES notation for 5,5-dimethylazepin-2-amine?
The canonical SMILES for 5,5-dimethylazepin-2-amine is CC1(C)C=CN=C(N)C=C1.
What is the InChIKey of 5,5-dimethylazepin-2-amine?
The InChIKey is ARKXWCIFDXTMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2)4-3-7(9)10-6-5-8/h3-6H,1-2H3,(H2,9,10).
What are the key properties of 5,5-dimethylazepin-2-amine?
5,5-dimethylazepin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethylazepin-2-amine is sourced from PubChem (CID 123272233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).