5,6,6-trimethylpyridine-1,3-diamine

C8H15N3 — CID 174593945

IUPAC5,6,6-trimethylpyridine-1,3-diamine
SMILESCC1=CC(N)=CN(N)C1(C)C
InChIInChI=1S/C8H15N3/c1-6-4-7(9)5-11(10)8(6,2)3/h4-5H,9-10H2,1-3H3
InChIKeyXOTLMOFBGNHVGE-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.70
Rot. Bonds

About 5,6,6-trimethylpyridine-1,3-diamine

5,6,6-trimethylpyridine-1,3-diamine (PubChem CID 174593945) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 5,6,6-trimethylpyridine-1,3-diamine.

Molecular Properties

Compound Name5,6,6-trimethylpyridine-1,3-diamine
PubChem CID174593945
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name5,6,6-trimethylpyridine-1,3-diamine
SMILESCC1=CC(N)=CN(N)C1(C)C
InChIInChI=1S/C8H15N3/c1-6-4-7(9)5-11(10)8(6,2)3/h4-5H,9-10H2,1-3H3
InChIKeyXOTLMOFBGNHVGE-UHFFFAOYSA-N
XLogP0.70
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,6-trimethylpyridine-1,3-diamine?
The IUPAC name of 5,6,6-trimethylpyridine-1,3-diamine (CID 174593945) is 5,6,6-trimethylpyridine-1,3-diamine.
What is the SMILES notation for 5,6,6-trimethylpyridine-1,3-diamine?
The canonical SMILES for 5,6,6-trimethylpyridine-1,3-diamine is CC1=CC(N)=CN(N)C1(C)C.
What is the InChIKey of 5,6,6-trimethylpyridine-1,3-diamine?
The InChIKey is XOTLMOFBGNHVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-6-4-7(9)5-11(10)8(6,2)3/h4-5H,9-10H2,1-3H3.
What are the key properties of 5,6,6-trimethylpyridine-1,3-diamine?
5,6,6-trimethylpyridine-1,3-diamine has a molecular weight of 153.23 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,6-trimethylpyridine-1,3-diamine is sourced from PubChem (CID 174593945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).