(Z)-N-(3-ethoxypropyl)pent-3-en-1-imine

C10H19NO — CID 126654118

IUPAC(Z)-N-(3-ethoxypropyl)pent-3-en-1-imine
SMILESC/C=C\C/C=N/CCCOCC
InChIInChI=1S/C10H19NO/c1-3-5-6-8-11-9-7-10-12-4-2/h3,5,8H,4,6-7,9-10H2,1-2H3/b5-3-,11-8+
InChIKeyZMEOJZNCNOHIHQ-NJHUYJSNSA-N
MW169.27 g/mol
LogP2.45
Rot. Bonds7

About (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine

(Z)-N-(3-ethoxypropyl)pent-3-en-1-imine (PubChem CID 126654118) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(3-ethoxypropyl)pent-3-en-1-imine
PubChem CID126654118
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z)-N-(3-ethoxypropyl)pent-3-en-1-imine
SMILESC/C=C\C/C=N/CCCOCC
InChIInChI=1S/C10H19NO/c1-3-5-6-8-11-9-7-10-12-4-2/h3,5,8H,4,6-7,9-10H2,1-2H3/b5-3-,11-8+
InChIKeyZMEOJZNCNOHIHQ-NJHUYJSNSA-N
XLogP2.45
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine?
The IUPAC name of (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine (CID 126654118) is (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine.
What is the SMILES notation for (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine?
The canonical SMILES for (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine is C/C=C\C/C=N/CCCOCC.
What is the InChIKey of (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine?
The InChIKey is ZMEOJZNCNOHIHQ-NJHUYJSNSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-5-6-8-11-9-7-10-12-4-2/h3,5,8H,4,6-7,9-10H2,1-2H3/b5-3-,11-8+.
What are the key properties of (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine?
(Z)-N-(3-ethoxypropyl)pent-3-en-1-imine has a molecular weight of 169.27 g/mol, XLogP of 2.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3-ethoxypropyl)pent-3-en-1-imine is sourced from PubChem (CID 126654118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).