3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine

C12H23N3 — CID 146433049

IUPAC3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine
SMILESC=CC1=C(N(C)C(C)CCN)NCCC1
InChIInChI=1S/C12H23N3/c1-4-11-6-5-9-14-12(11)15(3)10(2)7-8-13/h4,10,14H,1,5-9,13H2,2-3H3
InChIKeyGLLQILGDRGQKLP-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.44
Rot. Bonds5

About 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine

3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine (PubChem CID 146433049) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine
PubChem CID146433049
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine
SMILESC=CC1=C(N(C)C(C)CCN)NCCC1
InChIInChI=1S/C12H23N3/c1-4-11-6-5-9-14-12(11)15(3)10(2)7-8-13/h4,10,14H,1,5-9,13H2,2-3H3
InChIKeyGLLQILGDRGQKLP-UHFFFAOYSA-N
XLogP1.44
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine?
The IUPAC name of 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine (CID 146433049) is 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine.
What is the SMILES notation for 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine?
The canonical SMILES for 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine is C=CC1=C(N(C)C(C)CCN)NCCC1.
What is the InChIKey of 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine?
The InChIKey is GLLQILGDRGQKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-11-6-5-9-14-12(11)15(3)10(2)7-8-13/h4,10,14H,1,5-9,13H2,2-3H3.
What are the key properties of 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine?
3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine has a molecular weight of 209.34 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)-3-N-methylbutane-1,3-diamine is sourced from PubChem (CID 146433049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).