1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine

C11H18N2 — CID 155709829

IUPAC1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine
SMILESC=CC1=C(C(=C)N)CN(CC)CC1
InChIInChI=1S/C11H18N2/c1-4-10-6-7-13(5-2)8-11(10)9(3)12/h4H,1,3,5-8,12H2,2H3
InChIKeyCUXQJXWDZYQVEB-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.67
Rot. Bonds3

About 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine

1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine (PubChem CID 155709829) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine.

Molecular Properties

Compound Name1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine
PubChem CID155709829
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine
SMILESC=CC1=C(C(=C)N)CN(CC)CC1
InChIInChI=1S/C11H18N2/c1-4-10-6-7-13(5-2)8-11(10)9(3)12/h4H,1,3,5-8,12H2,2H3
InChIKeyCUXQJXWDZYQVEB-UHFFFAOYSA-N
XLogP1.67
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine?
The IUPAC name of 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine (CID 155709829) is 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine.
What is the SMILES notation for 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine?
The canonical SMILES for 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine is C=CC1=C(C(=C)N)CN(CC)CC1.
What is the InChIKey of 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine?
The InChIKey is CUXQJXWDZYQVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-10-6-7-13(5-2)8-11(10)9(3)12/h4H,1,3,5-8,12H2,2H3.
What are the key properties of 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine?
1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine has a molecular weight of 178.28 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-1-ethyl-3,6-dihydro-2H-pyridin-5-yl)ethenamine is sourced from PubChem (CID 155709829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).