1-prop-2-enyl-2H-pyridin-2-amine

C8H12N2 — CID 67696353

IUPAC1-prop-2-enyl-2H-pyridin-2-amine
SMILESC=CCN1C=CC=CC1N
InChIInChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2-5,7-8H,1,6,9H2
InChIKeyXWXIZAGZZNXIJU-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.84
Rot. Bonds2

About 1-prop-2-enyl-2H-pyridin-2-amine

1-prop-2-enyl-2H-pyridin-2-amine (PubChem CID 67696353) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-prop-2-enyl-2H-pyridin-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-2H-pyridin-2-amine
PubChem CID67696353
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-prop-2-enyl-2H-pyridin-2-amine
SMILESC=CCN1C=CC=CC1N
InChIInChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2-5,7-8H,1,6,9H2
InChIKeyXWXIZAGZZNXIJU-UHFFFAOYSA-N
XLogP0.84
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-2H-pyridin-2-amine?
The IUPAC name of 1-prop-2-enyl-2H-pyridin-2-amine (CID 67696353) is 1-prop-2-enyl-2H-pyridin-2-amine.
What is the SMILES notation for 1-prop-2-enyl-2H-pyridin-2-amine?
The canonical SMILES for 1-prop-2-enyl-2H-pyridin-2-amine is C=CCN1C=CC=CC1N.
What is the InChIKey of 1-prop-2-enyl-2H-pyridin-2-amine?
The InChIKey is XWXIZAGZZNXIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-6-10-7-4-3-5-8(10)9/h2-5,7-8H,1,6,9H2.
What are the key properties of 1-prop-2-enyl-2H-pyridin-2-amine?
1-prop-2-enyl-2H-pyridin-2-amine has a molecular weight of 136.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2H-pyridin-2-amine is sourced from PubChem (CID 67696353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).