(2E)-2-ethylidene-N-methylpent-4-en-1-imine

C8H13N — CID 144940239

IUPAC(2E)-2-ethylidene-N-methylpent-4-en-1-imine
SMILESC=CCC(/C=N/C)=C\C
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h4-5,7H,1,6H2,2-3H3/b8-5+,9-7+
InChIKeyDLGIBPRGEQOXJD-OCIXRKKMSA-N
MW123.20 g/mol
LogP2.21
Rot. Bonds3

About (2E)-2-ethylidene-N-methylpent-4-en-1-imine

(2E)-2-ethylidene-N-methylpent-4-en-1-imine (PubChem CID 144940239) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is (2E)-2-ethylidene-N-methylpent-4-en-1-imine.

Molecular Properties

Compound Name(2E)-2-ethylidene-N-methylpent-4-en-1-imine
PubChem CID144940239
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name(2E)-2-ethylidene-N-methylpent-4-en-1-imine
SMILESC=CCC(/C=N/C)=C\C
InChIInChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h4-5,7H,1,6H2,2-3H3/b8-5+,9-7+
InChIKeyDLGIBPRGEQOXJD-OCIXRKKMSA-N
XLogP2.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-ethylidene-N-[(Z)-prop-1-enyl]pent-4-en-1-imine
CID 143654384
4-ethenylhexa-1,4-diene
CID 85441048
(2Z)-2-ethylidenepent-4-en-1-imine
CID 171644246
(2E,4E)-5-(methyliminomethyl)hepta-2,4-dien-3-ol
CID 176975575
4-ethylideneundeca-1,5,7,9-tetraene
CID 151010728
ethane;(4E)-4-ethenylhepta-1,4-diene;prop-1-ene
CID 143290103
(4Z)-4-iodohexa-1,4-diene
CID 88547743
ethane;ethene;(Z)-N-methyl-2-propan-2-ylbut-2-en-1-imine
CID 169242531
2-methoxypenta-1,4-diene
CID 12625760
(2E)-2-ethyl-N,5-dimethylhexa-2,4-dien-1-imine
CID 153465555
2-propan-2-ylpenta-1,4-dien-1-one
CID 164853816
(2Z)-2-(methyliminomethyl)-N-propylpenta-2,4-dien-1-amine;molecular hydrogen
CID 178168575

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-N-methylpent-4-en-1-imine?
The IUPAC name of (2E)-2-ethylidene-N-methylpent-4-en-1-imine (CID 144940239) is (2E)-2-ethylidene-N-methylpent-4-en-1-imine.
What is the SMILES notation for (2E)-2-ethylidene-N-methylpent-4-en-1-imine?
The canonical SMILES for (2E)-2-ethylidene-N-methylpent-4-en-1-imine is C=CCC(/C=N/C)=C\C.
What is the InChIKey of (2E)-2-ethylidene-N-methylpent-4-en-1-imine?
The InChIKey is DLGIBPRGEQOXJD-OCIXRKKMSA-N. The full InChI is InChI=1S/C8H13N/c1-4-6-8(5-2)7-9-3/h4-5,7H,1,6H2,2-3H3/b8-5+,9-7+.
What are the key properties of (2E)-2-ethylidene-N-methylpent-4-en-1-imine?
(2E)-2-ethylidene-N-methylpent-4-en-1-imine has a molecular weight of 123.20 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-N-methylpent-4-en-1-imine is sourced from PubChem (CID 144940239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).