N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine

C14H19N3 — CID 139514724

IUPACN-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C=C\C(CC)CC)c1cnccn1
InChIInChI=1S/C14H19N3/c1-4-13(5-2)6-7-15-10-12(3)14-11-16-8-9-17-14/h6-11,13H,3-5H2,1-2H3/b7-6-,15-10+
InChIKeySMNPYRSMLNGTEG-GZJRMXIGSA-N
MW229.33 g/mol
LogP3.51
Rot. Bonds6

About N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine

N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine (PubChem CID 139514724) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine
PubChem CID139514724
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine
SMILESC=C(/C=N/C=C\C(CC)CC)c1cnccn1
InChIInChI=1S/C14H19N3/c1-4-13(5-2)6-7-15-10-12(3)14-11-16-8-9-17-14/h6-11,13H,3-5H2,1-2H3/b7-6-,15-10+
InChIKeySMNPYRSMLNGTEG-GZJRMXIGSA-N
XLogP3.51
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-pyrazin-2-ylbutan-1-one
CID 116584056
2-(1-iodoethenyl)pyrazine
CID 122605916
ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane
CID 143067711
2-(3-methoxyprop-1-en-2-yl)pyrazine
CID 67622452
2-(pyrazine-2-carbonylamino)hexanoic acid
CID 43388148
N-(2-methylprop-2-enyl)pyrazine-2-carboxamide
CID 114618266
(E)-2-(pyrazine-2-carbonylamino)hex-4-enoic acid
CID 120692944
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
(2S)-2-(pyrazine-2-carbonylamino)butanedioic acid
CID 112733139
2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299
2-butan-2-ylsulfanyl-1-pyrazin-2-ylethanone
CID 65136340
N'-propan-2-ylpyrazine-2-carboximidamide
CID 63181346

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine?
The IUPAC name of N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine (CID 139514724) is N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine.
What is the SMILES notation for N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine?
The canonical SMILES for N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine is C=C(/C=N/C=C\C(CC)CC)c1cnccn1.
What is the InChIKey of N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine?
The InChIKey is SMNPYRSMLNGTEG-GZJRMXIGSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-13(5-2)6-7-15-10-12(3)14-11-16-8-9-17-14/h6-11,13H,3-5H2,1-2H3/b7-6-,15-10+.
What are the key properties of N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine?
N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine has a molecular weight of 229.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine is sourced from PubChem (CID 139514724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).