2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine

C8H17N3 — CID 146729626

IUPAC2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine
SMILESCC1=NC(C)C(C)C(N)(N)C1
InChIInChI=1S/C8H17N3/c1-5-4-8(9,10)6(2)7(3)11-5/h6-7H,4,9-10H2,1-3H3
InChIKeyRHEDBBSFFKRCCZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.49
Rot. Bonds

About 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine

2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine (PubChem CID 146729626) has the molecular formula C8H17N3 and a molecular weight of 155.24 g/mol. Its IUPAC name is 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine.

Molecular Properties

Compound Name2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine
PubChem CID146729626
Molecular FormulaC8H17N3
Molecular Weight155.24 g/mol
Exact Mass155.14
IUPAC Name2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine
SMILESCC1=NC(C)C(C)C(N)(N)C1
InChIInChI=1S/C8H17N3/c1-5-4-8(9,10)6(2)7(3)11-5/h6-7H,4,9-10H2,1-3H3
InChIKeyRHEDBBSFFKRCCZ-UHFFFAOYSA-N
XLogP0.49
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine?
The IUPAC name of 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine (CID 146729626) is 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine.
What is the SMILES notation for 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine?
The canonical SMILES for 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine is CC1=NC(C)C(C)C(N)(N)C1.
What is the InChIKey of 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine?
The InChIKey is RHEDBBSFFKRCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3/c1-5-4-8(9,10)6(2)7(3)11-5/h6-7H,4,9-10H2,1-3H3.
What are the key properties of 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine?
2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine has a molecular weight of 155.24 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-3,5-dihydro-2H-pyridine-4,4-diamine is sourced from PubChem (CID 146729626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).