2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen

C8H16N2 — CID 145065646

IUPAC2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen
SMILESC=C/N=C(\C=C)CNCC.[H][H]
InChIInChI=1S/C8H14N2.H2/c1-4-8(10-6-3)7-9-5-2;/h4,6,9H,1,3,5,7H2,2H3;1H/b10-8+;
InChIKeyGDCWISWQOSKYLP-VRTOBVRTSA-N
MW140.23 g/mol
LogP1.61
Rot. Bonds5

About 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen

2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen (PubChem CID 145065646) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Name2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen
PubChem CID145065646
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC Name2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen
SMILESC=C/N=C(\C=C)CNCC.[H][H]
InChIInChI=1S/C8H14N2.H2/c1-4-8(10-6-3)7-9-5-2;/h4,6,9H,1,3,5,7H2,2H3;1H/b10-8+;
InChIKeyGDCWISWQOSKYLP-VRTOBVRTSA-N
XLogP1.61
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.61
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 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen?
The IUPAC name of 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen (CID 145065646) is 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen.
What is the SMILES notation for 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen?
The canonical SMILES for 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen is C=C/N=C(\C=C)CNCC.[H][H].
What is the InChIKey of 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen?
The InChIKey is GDCWISWQOSKYLP-VRTOBVRTSA-N. The full InChI is InChI=1S/C8H14N2.H2/c1-4-8(10-6-3)7-9-5-2;/h4,6,9H,1,3,5,7H2,2H3;1H/b10-8+;.
What are the key properties of 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen?
2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen has a molecular weight of 140.23 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenylimino-N-ethylbut-3-en-1-amine;molecular hydrogen is sourced from PubChem (CID 145065646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).