3,4-dimethylazet-2-amine

C5H8N2 — CID 142771798

IUPAC3,4-dimethylazet-2-amine
SMILESCC1=C(C)C(N)=N1
InChIInChI=1S/C5H8N2/c1-3-4(2)7-5(3)6/h1-2H3,(H2,6,7)
InChIKeyGTKJMVNEHSNMIB-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.65
Rot. Bonds

About 3,4-dimethylazet-2-amine

3,4-dimethylazet-2-amine (PubChem CID 142771798) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 3,4-dimethylazet-2-amine.

Molecular Properties

Compound Name3,4-dimethylazet-2-amine
PubChem CID142771798
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name3,4-dimethylazet-2-amine
SMILESCC1=C(C)C(N)=N1
InChIInChI=1S/C5H8N2/c1-3-4(2)7-5(3)6/h1-2H3,(H2,6,7)
InChIKeyGTKJMVNEHSNMIB-UHFFFAOYSA-N
XLogP0.65
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethylazet-2-amine?
The IUPAC name of 3,4-dimethylazet-2-amine (CID 142771798) is 3,4-dimethylazet-2-amine.
What is the SMILES notation for 3,4-dimethylazet-2-amine?
The canonical SMILES for 3,4-dimethylazet-2-amine is CC1=C(C)C(N)=N1.
What is the InChIKey of 3,4-dimethylazet-2-amine?
The InChIKey is GTKJMVNEHSNMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-3-4(2)7-5(3)6/h1-2H3,(H2,6,7).
What are the key properties of 3,4-dimethylazet-2-amine?
3,4-dimethylazet-2-amine has a molecular weight of 96.13 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethylazet-2-amine is sourced from PubChem (CID 142771798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).