N-propoxyazetidin-3-imine

C6H12N2O — CID 171507846

IUPACN-propoxyazetidin-3-imine
SMILESCCCON=C1CNC1
InChIInChI=1S/C6H12N2O/c1-2-3-9-8-6-4-7-5-6/h7H,2-5H2,1H3
InChIKeyTUYMICXYRDPLOT-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.37
Rot. Bonds3

About N-propoxyazetidin-3-imine

N-propoxyazetidin-3-imine (PubChem CID 171507846) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-propoxyazetidin-3-imine.

Molecular Properties

Compound NameN-propoxyazetidin-3-imine
PubChem CID171507846
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-propoxyazetidin-3-imine
SMILESCCCON=C1CNC1
InChIInChI=1S/C6H12N2O/c1-2-3-9-8-6-4-7-5-6/h7H,2-5H2,1H3
InChIKeyTUYMICXYRDPLOT-UHFFFAOYSA-N
XLogP0.37
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

N-ethoxyazetidin-3-imine
CID 137451087
N-ethoxypyrrolidin-3-imine
CID 123677631
N-decoxycyclohexanimine
CID 23466975
(E)-N-propoxyprop-2-en-1-imine
CID 10057470
[2-fluoro-3-[2-(4-propoxyiminopiperidin-1-yl)pyrimidin-5-yl]phenyl]methanol
CID 126562092
2,3-dihydro-1H-isoindole;propane
CID 143664117
(13E)-13-heptoxyimino-oxacyclohexadecan-2-one
CID 24756670
butyl nitrite;propyl nitrite
CID 88771471
4-ethoxyimino-3-methylpyrrolidin-3-amine
CID 141348399
propyl 4-ethylpiperidine-4-carboxylate
CID 63125915
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
3-(propoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine
CID 107940933

Frequently Asked Questions

What is the IUPAC name of N-propoxyazetidin-3-imine?
The IUPAC name of N-propoxyazetidin-3-imine (CID 171507846) is N-propoxyazetidin-3-imine.
What is the SMILES notation for N-propoxyazetidin-3-imine?
The canonical SMILES for N-propoxyazetidin-3-imine is CCCON=C1CNC1.
What is the InChIKey of N-propoxyazetidin-3-imine?
The InChIKey is TUYMICXYRDPLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-3-9-8-6-4-7-5-6/h7H,2-5H2,1H3.
What are the key properties of N-propoxyazetidin-3-imine?
N-propoxyazetidin-3-imine has a molecular weight of 128.17 g/mol, XLogP of 0.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propoxyazetidin-3-imine is sourced from PubChem (CID 171507846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).