N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine

C17H23N3 — CID 155441895

IUPACN-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine
SMILESC=C1C=C(C)C=CN1/C(=C\C)C1CC=C/C(=N\CC)N1
InChIInChI=1S/C17H23N3/c1-5-16(20-11-10-13(3)12-14(20)4)15-8-7-9-17(19-15)18-6-2/h5,7,9-12,15H,4,6,8H2,1-3H3,(H,18,19)/b16-5-
InChIKeyGJYPIGHAGGIAFB-BNCCVWRVSA-N
MW269.39 g/mol
LogP3.52
Rot. Bonds3

About N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine

N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine (PubChem CID 155441895) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine.

Molecular Properties

Compound NameN-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine
PubChem CID155441895
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine
SMILESC=C1C=C(C)C=CN1/C(=C\C)C1CC=C/C(=N\CC)N1
InChIInChI=1S/C17H23N3/c1-5-16(20-11-10-13(3)12-14(20)4)15-8-7-9-17(19-15)18-6-2/h5,7,9-12,15H,4,6,8H2,1-3H3,(H,18,19)/b16-5-
InChIKeyGJYPIGHAGGIAFB-BNCCVWRVSA-N
XLogP3.52
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.52
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-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine?
The IUPAC name of N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine (CID 155441895) is N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine.
What is the SMILES notation for N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine?
The canonical SMILES for N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine is C=C1C=C(C)C=CN1/C(=C\C)C1CC=C/C(=N\CC)N1.
What is the InChIKey of N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine?
The InChIKey is GJYPIGHAGGIAFB-BNCCVWRVSA-N. The full InChI is InChI=1S/C17H23N3/c1-5-16(20-11-10-13(3)12-14(20)4)15-8-7-9-17(19-15)18-6-2/h5,7,9-12,15H,4,6,8H2,1-3H3,(H,18,19)/b16-5-.
What are the key properties of N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine?
N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine has a molecular weight of 269.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(Z)-1-(4-methyl-2-methylidene-1-pyridinyl)prop-1-enyl]-2,3-dihydro-1H-pyridin-6-imine is sourced from PubChem (CID 155441895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).