N-(2-propoxyethyl)prop-2-en-1-imine

C8H15NO — CID 126760960

IUPACN-(2-propoxyethyl)prop-2-en-1-imine
SMILESC=C/C=N/CCOCCC
InChIInChI=1S/C8H15NO/c1-3-5-9-6-8-10-7-4-2/h3,5H,1,4,6-8H2,2H3/b9-5+
InChIKeyQECXQZRDJKRPAU-WEVVVXLNSA-N
MW141.21 g/mol
LogP1.67
Rot. Bonds6

About N-(2-propoxyethyl)prop-2-en-1-imine

N-(2-propoxyethyl)prop-2-en-1-imine (PubChem CID 126760960) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(2-propoxyethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(2-propoxyethyl)prop-2-en-1-imine
PubChem CID126760960
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(2-propoxyethyl)prop-2-en-1-imine
SMILESC=C/C=N/CCOCCC
InChIInChI=1S/C8H15NO/c1-3-5-9-6-8-10-7-4-2/h3,5H,1,4,6-8H2,2H3/b9-5+
InChIKeyQECXQZRDJKRPAU-WEVVVXLNSA-N
XLogP1.67
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.67
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-propoxyethyl)prop-2-en-1-imine?
The IUPAC name of N-(2-propoxyethyl)prop-2-en-1-imine (CID 126760960) is N-(2-propoxyethyl)prop-2-en-1-imine.
What is the SMILES notation for N-(2-propoxyethyl)prop-2-en-1-imine?
The canonical SMILES for N-(2-propoxyethyl)prop-2-en-1-imine is C=C/C=N/CCOCCC.
What is the InChIKey of N-(2-propoxyethyl)prop-2-en-1-imine?
The InChIKey is QECXQZRDJKRPAU-WEVVVXLNSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-5-9-6-8-10-7-4-2/h3,5H,1,4,6-8H2,2H3/b9-5+.
What are the key properties of N-(2-propoxyethyl)prop-2-en-1-imine?
N-(2-propoxyethyl)prop-2-en-1-imine has a molecular weight of 141.21 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxyethyl)prop-2-en-1-imine is sourced from PubChem (CID 126760960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).