1,4-bis(prop-2-enyl)-2H-pyridin-2-amine

C11H16N2 — CID 70447618

IUPAC1,4-bis(prop-2-enyl)-2H-pyridin-2-amine
SMILESC=CCC1=CC(N)N(CC=C)C=C1
InChIInChI=1S/C11H16N2/c1-3-5-10-6-8-13(7-4-2)11(12)9-10/h3-4,6,8-9,11H,1-2,5,7,12H2
InChIKeyZEEDBZACRLTOLH-UHFFFAOYSA-N
MW176.26 g/mol
LogP1.79
Rot. Bonds4

About 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine

1,4-bis(prop-2-enyl)-2H-pyridin-2-amine (PubChem CID 70447618) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine.

Molecular Properties

Compound Name1,4-bis(prop-2-enyl)-2H-pyridin-2-amine
PubChem CID70447618
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name1,4-bis(prop-2-enyl)-2H-pyridin-2-amine
SMILESC=CCC1=CC(N)N(CC=C)C=C1
InChIInChI=1S/C11H16N2/c1-3-5-10-6-8-13(7-4-2)11(12)9-10/h3-4,6,8-9,11H,1-2,5,7,12H2
InChIKeyZEEDBZACRLTOLH-UHFFFAOYSA-N
XLogP1.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.79
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 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine?
The IUPAC name of 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine (CID 70447618) is 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine.
What is the SMILES notation for 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine?
The canonical SMILES for 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine is C=CCC1=CC(N)N(CC=C)C=C1.
What is the InChIKey of 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine?
The InChIKey is ZEEDBZACRLTOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-3-5-10-6-8-13(7-4-2)11(12)9-10/h3-4,6,8-9,11H,1-2,5,7,12H2.
What are the key properties of 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine?
1,4-bis(prop-2-enyl)-2H-pyridin-2-amine has a molecular weight of 176.26 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis(prop-2-enyl)-2H-pyridin-2-amine is sourced from PubChem (CID 70447618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).