(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine

C12H20N2 — CID 142348356

IUPAC(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
SMILESC=C/C(CCC)=N\C1=C(C)CCCN1
InChIInChI=1S/C12H20N2/c1-4-7-11(5-2)14-12-10(3)8-6-9-13-12/h5,13H,2,4,6-9H2,1,3H3/b14-11+
InChIKeyAYJOVKVRZGAYDM-SDNWHVSQSA-N
MW192.31 g/mol
LogP3.03
Rot. Bonds4

About (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine

(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine (PubChem CID 142348356) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine.

Molecular Properties

Compound Name(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
PubChem CID142348356
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
SMILESC=C/C(CCC)=N\C1=C(C)CCCN1
InChIInChI=1S/C12H20N2/c1-4-7-11(5-2)14-12-10(3)8-6-9-13-12/h5,13H,2,4,6-9H2,1,3H3/b14-11+
InChIKeyAYJOVKVRZGAYDM-SDNWHVSQSA-N
XLogP3.03
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine?
The IUPAC name of (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine (CID 142348356) is (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine.
What is the SMILES notation for (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine?
The canonical SMILES for (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine is C=C/C(CCC)=N\C1=C(C)CCCN1.
What is the InChIKey of (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine?
The InChIKey is AYJOVKVRZGAYDM-SDNWHVSQSA-N. The full InChI is InChI=1S/C12H20N2/c1-4-7-11(5-2)14-12-10(3)8-6-9-13-12/h5,13H,2,4,6-9H2,1,3H3/b14-11+.
What are the key properties of (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine?
(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine has a molecular weight of 192.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine is sourced from PubChem (CID 142348356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).