1-morpholin-4-yl-N-propylmethanimine

C8H16N2O — CID 523955

IUPAC1-morpholin-4-yl-N-propylmethanimine
SMILESCCC/N=C/N1CCOCC1
InChIInChI=1S/C8H16N2O/c1-2-3-9-8-10-4-6-11-7-5-10/h8H,2-7H2,1H3/b9-8+
InChIKeyUQZCEFSULCSPCZ-CMDGGOBGSA-N
MW156.23 g/mol
LogP0.76
Rot. Bonds3

About 1-morpholin-4-yl-N-propylmethanimine

1-morpholin-4-yl-N-propylmethanimine (PubChem CID 523955) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-morpholin-4-yl-N-propylmethanimine.

Molecular Properties

Compound Name1-morpholin-4-yl-N-propylmethanimine
PubChem CID523955
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-morpholin-4-yl-N-propylmethanimine
SMILESCCC/N=C/N1CCOCC1
InChIInChI=1S/C8H16N2O/c1-2-3-9-8-10-4-6-11-7-5-10/h8H,2-7H2,1H3/b9-8+
InChIKeyUQZCEFSULCSPCZ-CMDGGOBGSA-N
XLogP0.76
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[Chloro(morpholin-4-yl)methylidene]-dimethylazanium
CID 85922596
N,N-dimethyl-N'-(2-morpholinoethyl)formamidine
CID 380200
[Fluoro(morpholin-4-yl)methylidene]-dimethylazanium
CID 24853903
N-tert-butyl-1-morpholin-4-ylethanimine
CID 330659
Methanimine, 1-(4-morpholino), N-hexyl
CID 523950
butyl N-tert-butylmorpholine-4-carboximidoselenoate
CID 139239921
(N-tert-butyl-C-morpholin-4-ylcarbonimidoyl)selanyllithium
CID 139239961
N-(morpholin-4-ium-4-ylidenemethyl)-1-morpholin-4-ylmethanimine chloride
CID 176442017
Methanimine, 1-(4-morpholino), N-butyl
CID 523948
Methanimine, 1-(4-morpholino), N-isobutyl
CID 523951
Methanimine, 1-(4-morpholino), N-pentyl
CID 523952
methyl N-cyanomorpholine-4-carboximidate
CID 20320551

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-N-propylmethanimine?
The IUPAC name of 1-morpholin-4-yl-N-propylmethanimine (CID 523955) is 1-morpholin-4-yl-N-propylmethanimine.
What is the SMILES notation for 1-morpholin-4-yl-N-propylmethanimine?
The canonical SMILES for 1-morpholin-4-yl-N-propylmethanimine is CCC/N=C/N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-N-propylmethanimine?
The InChIKey is UQZCEFSULCSPCZ-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2O/c1-2-3-9-8-10-4-6-11-7-5-10/h8H,2-7H2,1H3/b9-8+.
What are the key properties of 1-morpholin-4-yl-N-propylmethanimine?
1-morpholin-4-yl-N-propylmethanimine has a molecular weight of 156.23 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-N-propylmethanimine is sourced from PubChem (CID 523955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).