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

C14H28N2 — CID 142158786

IUPACethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine
SMILESC=C/C(C)=N\C1=C(C)CCCN1.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-4-9(3)12-10-8(2)6-5-7-11-10;2*1-2/h4,11H,1,5-7H2,2-3H3;2*1-2H3/b12-9-;;
InChIKeyNOLQETOKNRGGRN-AGZDHKJJSA-N
MW224.39 g/mol
LogP4.30
Rot. Bonds2

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

ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine (PubChem CID 142158786) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine.

Molecular Properties

Compound Nameethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine
PubChem CID142158786
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Nameethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine
SMILESC=C/C(C)=N\C1=C(C)CCCN1.CC.CC
InChIInChI=1S/C10H16N2.2C2H6/c1-4-9(3)12-10-8(2)6-5-7-11-10;2*1-2/h4,11H,1,5-7H2,2-3H3;2*1-2H3/b12-9-;;
InChIKeyNOLQETOKNRGGRN-AGZDHKJJSA-N
XLogP4.30
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)ethanimine;molecular hydrogen
CID 141921413
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine
CID 142110792
(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)hex-1-en-3-imine
CID 142348356
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine;molecular hydrogen
CID 142348379
(3E)-3-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]butan-1-amine
CID 143997682
ethane;(4E)-4-[(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)imino]pentan-1-amine
CID 143997689
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144168205
ethane;N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)methanimine
CID 144374242
ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)prop-2-en-1-imine
CID 144819824
N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)pentan-2-imine
CID 173982626
(Z)-N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)ethanimine
CID 141921414
N-(5-ethenyl-1,2,3,4-tetrahydropyridin-6-yl)propan-2-imine
CID 142110793

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine?
The IUPAC name of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine (CID 142158786) is ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine.
What is the SMILES notation for ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine?
The canonical SMILES for ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine is C=C/C(C)=N\C1=C(C)CCCN1.CC.CC.
What is the InChIKey of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine?
The InChIKey is NOLQETOKNRGGRN-AGZDHKJJSA-N. The full InChI is InChI=1S/C10H16N2.2C2H6/c1-4-9(3)12-10-8(2)6-5-7-11-10;2*1-2/h4,11H,1,5-7H2,2-3H3;2*1-2H3/b12-9-;;.
What are the key properties of ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine?
ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine has a molecular weight of 224.39 g/mol, XLogP of 4.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(5-methyl-1,2,3,4-tetrahydropyridin-6-yl)but-3-en-2-imine is sourced from PubChem (CID 142158786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).