N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide

C15H22N4O3 — CID 86778468

IUPACN'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCCCc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C15H22N4O3/c16-15(18-9-11-22-12-10-18)17-8-2-1-3-13-4-6-14(7-5-13)19(20)21/h4-7H,1-3,8-12H2,(H2,16,17)
InChIKeyBYSPEOYQGWAJSC-UHFFFAOYSA-N
MW306.37 g/mol
LogP1.56
Rot. Bonds6

About N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide

N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide (PubChem CID 86778468) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide.

Molecular Properties

Compound NameN'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide
PubChem CID86778468
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide
SMILESN/C(=N\CCCCc1ccc([N+](=O)[O-])cc1)N1CCOCC1
InChIInChI=1S/C15H22N4O3/c16-15(18-9-11-22-12-10-18)17-8-2-1-3-13-4-6-14(7-5-13)19(20)21/h4-7H,1-3,8-12H2,(H2,16,17)
InChIKeyBYSPEOYQGWAJSC-UHFFFAOYSA-N
XLogP1.56
TPSA93.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

1-morpholin-4-yl-2-(4-nitrophenyl)ethanone
CID 5170165
1-morpholin-4-yl-2-(4-nitrophenyl)ethanethione
CID 46887259
N'-[3-(2-phenylethoxy)propyl]morpholine-4-carboximidamide;hydroiodide
CID 56801703
N'-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine-4-carboximidamide
CID 75493971
2-[4-(4-nitrophenyl)butyl]-1-(2-thiophen-2-ylethyl)guanidine
CID 111805982
N'-(3-benzylsulfonylpropyl)morpholine-4-carboximidamide
CID 111065176
1-(4-azidobutyl)-4-nitrobenzene
CID 59154539
2-isocyano-1-morpholin-4-yl-3-(4-nitrophenyl)propan-1-one
CID 134865492
[2-(4-nitrophenyl)-2-oxoethyl] morpholine-4-carbodithioate
CID 872333
N'-benzyl-N-(4-nitrophenyl)morpholine-4-carboximidamide
CID 132838246
N'-[2-(benzenesulfonyl)ethyl]morpholine-4-carboximidamide
CID 111065084
1-O-ethyl 4-O-[4-(4-nitrophenyl)butyl] piperazine-1,4-dicarboxylate
CID 6733776

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide?
The IUPAC name of N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide (CID 86778468) is N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide.
What is the SMILES notation for N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide?
The canonical SMILES for N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide is N/C(=N\CCCCc1ccc([N+](=O)[O-])cc1)N1CCOCC1.
What is the InChIKey of N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide?
The InChIKey is BYSPEOYQGWAJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c16-15(18-9-11-22-12-10-18)17-8-2-1-3-13-4-6-14(7-5-13)19(20)21/h4-7H,1-3,8-12H2,(H2,16,17).
What are the key properties of N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide?
N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide has a molecular weight of 306.37 g/mol, XLogP of 1.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-nitrophenyl)butyl]morpholine-4-carboximidamide is sourced from PubChem (CID 86778468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).