N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine

C14H19N3O3 — CID 25268897

IUPACN-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/CCCN1CCOCC1
InChIInChI=1S/C14H19N3O3/c18-17(19)14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-20-11-9-16/h1-2,4-5,12H,3,6-11H2/b15-12+
InChIKeyIMZMHIYODMHCHJ-NTCAYCPXSA-N
MW277.32 g/mol
LogP1.74
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine

N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine (PubChem CID 25268897) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
PubChem CID25268897
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine
SMILESO=[N+]([O-])c1ccccc1/C=N/CCCN1CCOCC1
InChIInChI=1S/C14H19N3O3/c18-17(19)14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-20-11-9-16/h1-2,4-5,12H,3,6-11H2/b15-12+
InChIKeyIMZMHIYODMHCHJ-NTCAYCPXSA-N
XLogP1.74
TPSA67.97 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(2-morpholin-4-ylethyliminomethyl)-4-nitrophenol
CID 25269594
N-(3-morpholin-4-ylpropyl)-3-(2-nitrophenyl)prop-2-enamide
CID 78784079
4-[3-(2-nitrophenoxy)propyl]morpholine
CID 2232477
1-(2-morpholin-4-ylethyl)-3-[3-(2-nitrophenyl)prop-2-enylideneamino]thiourea
CID 4563135
manganese(3+);bis(2-(2-morpholin-4-ylethyliminomethyl)phenolate);isothiocyanate;dihydrate
CID 139178755
2-[(E)-[1-(2-morpholin-4-ylethyl)benzimidazol-2-yl]iminomethyl]-6-nitrophenol
CID 135683959
N-(3-morpholin-4-ylpropyl)-N'-(2-nitrophenyl)oxamide
CID 7585342
1-anthracen-1-yl-N-(2-morpholin-4-ylethyl)methanimine
CID 166769350
5-methyl-4-(3-morpholin-4-ylpropyliminomethyl)-2-(4-nitrophenyl)-1H-pyrazol-3-one
CID 156601270
2-(3-morpholin-4-ylpropoxy)-6-nitrobenzoic acid
CID 175238425
3-bromo-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-4-amine
CID 84592604
4-[[1-[3-(2-nitrophenyl)prop-2-enyl]piperidin-3-yl]methyl]morpholine
CID 127265641

Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine (CID 25268897) is N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine is O=[N+]([O-])c1ccccc1/C=N/CCCN1CCOCC1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine?
The InChIKey is IMZMHIYODMHCHJ-NTCAYCPXSA-N. The full InChI is InChI=1S/C14H19N3O3/c18-17(19)14-5-2-1-4-13(14)12-15-6-3-7-16-8-10-20-11-9-16/h1-2,4-5,12H,3,6-11H2/b15-12+.
What are the key properties of N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine?
N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine has a molecular weight of 277.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-1-(2-nitrophenyl)methanimine is sourced from PubChem (CID 25268897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).