N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen

C10H18N2 — CID 176962191

IUPACN-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen
SMILESC=CC1=C(N=C)N[C@@H](CC)CC1.[H][H]
InChIInChI=1S/C10H16N2.H2/c1-4-8-6-7-9(5-2)12-10(8)11-3;/h4,9,12H,1,3,5-7H2,2H3;1H/t9-;/m0./s1
InChIKeyGQSNMGRITSYXIS-FVGYRXGTSA-N
MW166.27 g/mol
LogP2.49
Rot. Bonds3

About N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen

N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen (PubChem CID 176962191) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen.

Molecular Properties

Compound NameN-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen
PubChem CID176962191
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC NameN-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen
SMILESC=CC1=C(N=C)N[C@@H](CC)CC1.[H][H]
InChIInChI=1S/C10H16N2.H2/c1-4-8-6-7-9(5-2)12-10(8)11-3;/h4,9,12H,1,3,5-7H2,2H3;1H/t9-;/m0./s1
InChIKeyGQSNMGRITSYXIS-FVGYRXGTSA-N
XLogP2.49
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.49
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 N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen?
The IUPAC name of N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen (CID 176962191) is N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen.
What is the SMILES notation for N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen?
The canonical SMILES for N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen is C=CC1=C(N=C)N[C@@H](CC)CC1.[H][H].
What is the InChIKey of N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen?
The InChIKey is GQSNMGRITSYXIS-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H16N2.H2/c1-4-8-6-7-9(5-2)12-10(8)11-3;/h4,9,12H,1,3,5-7H2,2H3;1H/t9-;/m0./s1.
What are the key properties of N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen?
N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen has a molecular weight of 166.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-5-ethenyl-2-ethyl-1,2,3,4-tetrahydropyridin-6-yl]methanimine;molecular hydrogen is sourced from PubChem (CID 176962191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).