1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine

C8H12N2 — CID 67922928

IUPAC1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1=CCC=CN1
InChIInChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h2,4-7,10H,1,3,9H2
InChIKeyVVZSKXXSYCWRIK-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.89
Rot. Bonds2

About 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine

1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine (PubChem CID 67922928) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine
PubChem CID67922928
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine
SMILESC=CC(N)C1=CCC=CN1
InChIInChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h2,4-7,10H,1,3,9H2
InChIKeyVVZSKXXSYCWRIK-UHFFFAOYSA-N
XLogP0.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.89
H-Bond Donors ≤ 52
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-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine?
The IUPAC name of 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine (CID 67922928) is 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine?
The canonical SMILES for 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine is C=CC(N)C1=CCC=CN1.
What is the InChIKey of 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine?
The InChIKey is VVZSKXXSYCWRIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-2-7(9)8-5-3-4-6-10-8/h2,4-7,10H,1,3,9H2.
What are the key properties of 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine?
1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine has a molecular weight of 136.20 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 67922928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).