1-pyridin-4-ylprop-2-en-1-amine

C8H10N2 — CID 55293732

IUPAC1-pyridin-4-ylprop-2-en-1-amine
SMILESC=CC(N)c1ccncc1
InChIInChI=1S/C8H10N2/c1-2-8(9)7-3-5-10-6-4-7/h2-6,8H,1,9H2
InChIKeyGJZOOUMSKDQFHN-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.27
Rot. Bonds2

About 1-pyridin-4-ylprop-2-en-1-amine

1-pyridin-4-ylprop-2-en-1-amine (PubChem CID 55293732) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-pyridin-4-ylprop-2-en-1-amine.

Molecular Properties

Compound Name1-pyridin-4-ylprop-2-en-1-amine
PubChem CID55293732
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name1-pyridin-4-ylprop-2-en-1-amine
SMILESC=CC(N)c1ccncc1
InChIInChI=1S/C8H10N2/c1-2-8(9)7-3-5-10-6-4-7/h2-6,8H,1,9H2
InChIKeyGJZOOUMSKDQFHN-UHFFFAOYSA-N
XLogP1.27
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chlorophenyl)prop-2-en-1-amine
CID 12987192
(1S)-1-pyrimidin-5-ylprop-2-en-1-amine
CID 130737229
3-amino-3-pyridin-4-ylprop-1-en-1-one
CID 91806379
(1R)-1-(4-imidazol-1-ylphenyl)prop-2-en-1-amine
CID 55278574
(1R)-1-pyridin-4-ylpent-4-en-1-amine;hydrochloride
CID 171200285
(1R)-1-(4-trimethylsilyloxyphenyl)prop-2-en-1-amine
CID 171207296
1-(3-fluoro-4-pyridinyl)prop-2-en-1-amine
CID 55295239
(1S)-1-(4-tert-butylphenyl)prop-2-en-1-amine;hydrochloride
CID 171221389
4-[(1S)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171217684
4-(1-pyridin-4-yloxyprop-2-enyl)pyridine
CID 91146300
4-[(1R)-1-aminoprop-2-enyl]benzonitrile;hydrochloride
CID 171198176
4-[(1R)-1-aminoprop-2-enyl]benzoic acid;hydrochloride
CID 171198125

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-4-ylprop-2-en-1-amine?
The IUPAC name of 1-pyridin-4-ylprop-2-en-1-amine (CID 55293732) is 1-pyridin-4-ylprop-2-en-1-amine.
What is the SMILES notation for 1-pyridin-4-ylprop-2-en-1-amine?
The canonical SMILES for 1-pyridin-4-ylprop-2-en-1-amine is C=CC(N)c1ccncc1.
What is the InChIKey of 1-pyridin-4-ylprop-2-en-1-amine?
The InChIKey is GJZOOUMSKDQFHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-8(9)7-3-5-10-6-4-7/h2-6,8H,1,9H2.
What are the key properties of 1-pyridin-4-ylprop-2-en-1-amine?
1-pyridin-4-ylprop-2-en-1-amine has a molecular weight of 134.18 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-4-ylprop-2-en-1-amine is sourced from PubChem (CID 55293732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).