N-ethylpenta-1,4-dien-3-imine

C7H11N — CID 123426753

IUPACN-ethylpenta-1,4-dien-3-imine
SMILESC=CC(C=C)=NCC
InChIInChI=1S/C7H11N/c1-4-7(5-2)8-6-3/h4-5H,1-2,6H2,3H3
InChIKeyTULPTDZYORJASH-UHFFFAOYSA-N
MW109.17 g/mol
LogP1.82
Rot. Bonds3

About N-ethylpenta-1,4-dien-3-imine

N-ethylpenta-1,4-dien-3-imine (PubChem CID 123426753) has the molecular formula C7H11N and a molecular weight of 109.17 g/mol. Its IUPAC name is N-ethylpenta-1,4-dien-3-imine.

Molecular Properties

Compound NameN-ethylpenta-1,4-dien-3-imine
PubChem CID123426753
Molecular FormulaC7H11N
Molecular Weight109.17 g/mol
Exact Mass109.09
IUPAC NameN-ethylpenta-1,4-dien-3-imine
SMILESC=CC(C=C)=NCC
InChIInChI=1S/C7H11N/c1-4-7(5-2)8-6-3/h4-5H,1-2,6H2,3H3
InChIKeyTULPTDZYORJASH-UHFFFAOYSA-N
XLogP1.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500109.17
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-ethyl-1,1,1-trifluorobut-3-en-2-imine
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N-methylpent-1-en-3-imine
CID 21718389
6-Methyl-2,3-dihydropyridine
CID 53833017
(Z)-N-ethylpent-3-en-2-imine
CID 87420267
(Z)-2-N-methyl-4-N-methylidenebut-3-ene-2,4-diimine
CID 88585998
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(Z)-4-iodo-N-methylbut-3-en-2-imine
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Frequently Asked Questions

What is the IUPAC name of N-ethylpenta-1,4-dien-3-imine?
The IUPAC name of N-ethylpenta-1,4-dien-3-imine (CID 123426753) is N-ethylpenta-1,4-dien-3-imine.
What is the SMILES notation for N-ethylpenta-1,4-dien-3-imine?
The canonical SMILES for N-ethylpenta-1,4-dien-3-imine is C=CC(C=C)=NCC.
What is the InChIKey of N-ethylpenta-1,4-dien-3-imine?
The InChIKey is TULPTDZYORJASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N/c1-4-7(5-2)8-6-3/h4-5H,1-2,6H2,3H3.
What are the key properties of N-ethylpenta-1,4-dien-3-imine?
N-ethylpenta-1,4-dien-3-imine has a molecular weight of 109.17 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylpenta-1,4-dien-3-imine is sourced from PubChem (CID 123426753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).