5-[3-(methylamino)prop-1-enyl]pyridin-2-amine

C9H13N3 — CID 169473070

IUPAC5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
SMILESCNCC=Cc1ccc(N)nc1
InChIInChI=1S/C9H13N3/c1-11-6-2-3-8-4-5-9(10)12-7-8/h2-5,7,11H,6H2,1H3,(H2,10,12)
InChIKeyCFKQSELFZPQANT-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.90
Rot. Bonds3

About 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine

5-[3-(methylamino)prop-1-enyl]pyridin-2-amine (PubChem CID 169473070) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
PubChem CID169473070
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name5-[3-(methylamino)prop-1-enyl]pyridin-2-amine
SMILESCNCC=Cc1ccc(N)nc1
InChIInChI=1S/C9H13N3/c1-11-6-2-3-8-4-5-9(10)12-7-8/h2-5,7,11H,6H2,1H3,(H2,10,12)
InChIKeyCFKQSELFZPQANT-UHFFFAOYSA-N
XLogP0.90
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine?
The IUPAC name of 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine (CID 169473070) is 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine.
What is the SMILES notation for 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine?
The canonical SMILES for 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine is CNCC=Cc1ccc(N)nc1.
What is the InChIKey of 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine?
The InChIKey is CFKQSELFZPQANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-11-6-2-3-8-4-5-9(10)12-7-8/h2-5,7,11H,6H2,1H3,(H2,10,12).
What are the key properties of 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine?
5-[3-(methylamino)prop-1-enyl]pyridin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)prop-1-enyl]pyridin-2-amine is sourced from PubChem (CID 169473070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).