1-N,4-N-dimethyl-2H-pyridine-1,4-diamine

C7H13N3 — CID 22337914

IUPAC1-N,4-N-dimethyl-2H-pyridine-1,4-diamine
SMILESCNC1=CCN(NC)C=C1
InChIInChI=1S/C7H13N3/c1-8-7-3-5-10(9-2)6-4-7/h3-5,8-9H,6H2,1-2H3
InChIKeyBWZHKRSSCFRVIE-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.05
Rot. Bonds2

About 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine

1-N,4-N-dimethyl-2H-pyridine-1,4-diamine (PubChem CID 22337914) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine.

Molecular Properties

Compound Name1-N,4-N-dimethyl-2H-pyridine-1,4-diamine
PubChem CID22337914
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name1-N,4-N-dimethyl-2H-pyridine-1,4-diamine
SMILESCNC1=CCN(NC)C=C1
InChIInChI=1S/C7H13N3/c1-8-7-3-5-10(9-2)6-4-7/h3-5,8-9H,6H2,1-2H3
InChIKeyBWZHKRSSCFRVIE-UHFFFAOYSA-N
XLogP0.05
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine?
The IUPAC name of 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine (CID 22337914) is 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine.
What is the SMILES notation for 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine?
The canonical SMILES for 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine is CNC1=CCN(NC)C=C1.
What is the InChIKey of 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine?
The InChIKey is BWZHKRSSCFRVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-8-7-3-5-10(9-2)6-4-7/h3-5,8-9H,6H2,1-2H3.
What are the key properties of 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine?
1-N,4-N-dimethyl-2H-pyridine-1,4-diamine has a molecular weight of 139.20 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-N-dimethyl-2H-pyridine-1,4-diamine is sourced from PubChem (CID 22337914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).