4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine

C9H17N3 — CID 138706416

IUPAC4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine
SMILESCN(C)C1(N(C)C)C=CN=CC1
InChIInChI=1S/C9H17N3/c1-11(2)9(12(3)4)5-7-10-8-6-9/h5,7-8H,6H2,1-4H3
InChIKeyGEACCWZFOVROSW-UHFFFAOYSA-N
MW167.26 g/mol
LogP0.79
Rot. Bonds2

About 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine

4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine (PubChem CID 138706416) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine.

Molecular Properties

Compound Name4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine
PubChem CID138706416
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine
SMILESCN(C)C1(N(C)C)C=CN=CC1
InChIInChI=1S/C9H17N3/c1-11(2)9(12(3)4)5-7-10-8-6-9/h5,7-8H,6H2,1-4H3
InChIKeyGEACCWZFOVROSW-UHFFFAOYSA-N
XLogP0.79
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
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 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine?
The IUPAC name of 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine (CID 138706416) is 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine.
What is the SMILES notation for 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine?
The canonical SMILES for 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine is CN(C)C1(N(C)C)C=CN=CC1.
What is the InChIKey of 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine?
The InChIKey is GEACCWZFOVROSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-11(2)9(12(3)4)5-7-10-8-6-9/h5,7-8H,6H2,1-4H3.
What are the key properties of 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine?
4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine has a molecular weight of 167.26 g/mol, XLogP of 0.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,4-N',4-N'-tetramethyl-3H-pyridine-4,4-diamine is sourced from PubChem (CID 138706416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).