1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine

C11H18N2 — CID 167149758

IUPAC1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine
SMILESC=CCC1CNC(C(=C)N)C=C1C
InChIInChI=1S/C11H18N2/c1-4-5-10-7-13-11(9(3)12)6-8(10)2/h4,6,10-11,13H,1,3,5,7,12H2,2H3
InChIKeyIVVXOHWIPRLXKC-UHFFFAOYSA-N
MW178.28 g/mol
LogP1.57
Rot. Bonds3

About 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine

1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine (PubChem CID 167149758) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine.

Molecular Properties

Compound Name1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine
PubChem CID167149758
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine
SMILESC=CCC1CNC(C(=C)N)C=C1C
InChIInChI=1S/C11H18N2/c1-4-5-10-7-13-11(9(3)12)6-8(10)2/h4,6,10-11,13H,1,3,5,7,12H2,2H3
InChIKeyIVVXOHWIPRLXKC-UHFFFAOYSA-N
XLogP1.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 51.57
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-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine?
The IUPAC name of 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine (CID 167149758) is 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine.
What is the SMILES notation for 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine?
The canonical SMILES for 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine is C=CCC1CNC(C(=C)N)C=C1C.
What is the InChIKey of 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine?
The InChIKey is IVVXOHWIPRLXKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-5-10-7-13-11(9(3)12)6-8(10)2/h4,6,10-11,13H,1,3,5,7,12H2,2H3.
What are the key properties of 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine?
1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine has a molecular weight of 178.28 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-3-prop-2-enyl-1,2,3,6-tetrahydropyridin-6-yl)ethenamine is sourced from PubChem (CID 167149758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).