(E)-N-propoxyprop-2-en-1-imine

C6H11NO — CID 10057470

IUPAC(E)-N-propoxyprop-2-en-1-imine
SMILESC=C/C=N/OCCC
InChIInChI=1S/C6H11NO/c1-3-5-7-8-6-4-2/h3,5H,1,4,6H2,2H3/b7-5+
InChIKeyDBINVSWDUAYRNX-FNORWQNLSA-N
MW113.16 g/mol
LogP1.58
Rot. Bonds4

About (E)-N-propoxyprop-2-en-1-imine

(E)-N-propoxyprop-2-en-1-imine (PubChem CID 10057470) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (E)-N-propoxyprop-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-propoxyprop-2-en-1-imine
PubChem CID10057470
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(E)-N-propoxyprop-2-en-1-imine
SMILESC=C/C=N/OCCC
InChIInChI=1S/C6H11NO/c1-3-5-7-8-6-4-2/h3,5H,1,4,6H2,2H3/b7-5+
InChIKeyDBINVSWDUAYRNX-FNORWQNLSA-N
XLogP1.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.58
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-dipentoxyethane-1,2-diimine
CID 118112396
(E)-N,N'-dihexoxyethane-1,2-diimine
CID 174854419
triethyl-[3-[(Z)-[(2Z)-2-[3-(triethylazaniumyl)propoxyimino]ethylidene]amino]oxypropyl]azanium
CID 6433529
N-hydroperoxyprop-2-en-1-imine
CID 173056422
(E)-N-pentoxypentan-1-imine
CID 18714719
5-(hydroxymethyl)-2-methyl-1-oxido-4-[(E)-propoxyiminomethyl]pyridin-1-ium-3-ol
CID 135697388
butane;N-prop-1-en-2-ylprop-2-en-1-imine
CID 144787234
N-[(Z)-prop-2-enylideneamino]propan-1-amine
CID 166786300
ethane;(Z)-N-prop-1-en-2-yloxyprop-2-en-1-imine
CID 143697946
CID 172586051
CID 172586051
(E)-N-(3-methoxypropoxy)butan-1-imine
CID 172988746
azane;1-prop-2-enoxypropane
CID 87450499

Frequently Asked Questions

What is the IUPAC name of (E)-N-propoxyprop-2-en-1-imine?
The IUPAC name of (E)-N-propoxyprop-2-en-1-imine (CID 10057470) is (E)-N-propoxyprop-2-en-1-imine.
What is the SMILES notation for (E)-N-propoxyprop-2-en-1-imine?
The canonical SMILES for (E)-N-propoxyprop-2-en-1-imine is C=C/C=N/OCCC.
What is the InChIKey of (E)-N-propoxyprop-2-en-1-imine?
The InChIKey is DBINVSWDUAYRNX-FNORWQNLSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-5-7-8-6-4-2/h3,5H,1,4,6H2,2H3/b7-5+.
What are the key properties of (E)-N-propoxyprop-2-en-1-imine?
(E)-N-propoxyprop-2-en-1-imine has a molecular weight of 113.16 g/mol, XLogP of 1.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-propoxyprop-2-en-1-imine is sourced from PubChem (CID 10057470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).