(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine

C11H14N2 — CID 155131804

IUPAC(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine
SMILESC=CCc1ccncc1/C=C(\C)N
InChIInChI=1S/C11H14N2/c1-3-4-10-5-6-13-8-11(10)7-9(2)12/h3,5-8H,1,4,12H2,2H3/b9-7+
InChIKeyUUQRLPCDVGJSQA-VQHVLOKHSA-N
MW174.25 g/mol
LogP2.13
Rot. Bonds3

About (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine

(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine (PubChem CID 155131804) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine.

Molecular Properties

Compound Name(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine
PubChem CID155131804
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine
SMILESC=CCc1ccncc1/C=C(\C)N
InChIInChI=1S/C11H14N2/c1-3-4-10-5-6-13-8-11(10)7-9(2)12/h3,5-8H,1,4,12H2,2H3/b9-7+
InChIKeyUUQRLPCDVGJSQA-VQHVLOKHSA-N
XLogP2.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.13
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 (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine?
The IUPAC name of (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine (CID 155131804) is (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine.
What is the SMILES notation for (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine?
The canonical SMILES for (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine is C=CCc1ccncc1/C=C(\C)N.
What is the InChIKey of (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine?
The InChIKey is UUQRLPCDVGJSQA-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H14N2/c1-3-4-10-5-6-13-8-11(10)7-9(2)12/h3,5-8H,1,4,12H2,2H3/b9-7+.
What are the key properties of (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine?
(E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine has a molecular weight of 174.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(4-prop-2-enyl-3-pyridinyl)prop-1-en-2-amine is sourced from PubChem (CID 155131804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).