N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide

C13H26N4O — CID 104884090

IUPACN-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide
SMILESCCC1COCCN1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H26N4O/c1-2-12-10-18-9-8-17(12)13(16-14)15-11-6-4-3-5-7-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyIWMBQJZXXSCDBQ-UHFFFAOYSA-N
MW254.38 g/mol
LogP1.25
Rot. Bonds2

About N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide

N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide (PubChem CID 104884090) has the molecular formula C13H26N4O and a molecular weight of 254.38 g/mol. Its IUPAC name is N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide
PubChem CID104884090
Molecular FormulaC13H26N4O
Molecular Weight254.38 g/mol
Exact Mass254.21
IUPAC NameN-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide
SMILESCCC1COCCN1/C(=N/C1CCCCC1)NN
InChIInChI=1S/C13H26N4O/c1-2-12-10-18-9-8-17(12)13(16-14)15-11-6-4-3-5-7-11/h11-12H,2-10,14H2,1H3,(H,15,16)
InChIKeyIWMBQJZXXSCDBQ-UHFFFAOYSA-N
XLogP1.25
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-6-(3,5-dimethylmorpholin-4-yl)-2H-1,3,5-triazin-1-amine
CID 141027428
N'-cyclohexyl-5-ethyl-2-methylmorpholine-4-carboximidamide
CID 62362283
N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide
CID 62363822
N'-cyclohexyl-3-methylmorpholine-4-carboximidamide
CID 62364473
N-amino-N'-cyclohexyl-2,2,6,6-tetramethylmorpholine-4-carboximidamide
CID 102746785
N-amino-N'-cyclohexyl-3-methoxy-4-methylpiperidine-1-carboximidamide
CID 102972024
N-amino-N'-ethyl-3-methoxypiperidine-1-carboximidamide
CID 102972036
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
N-amino-3-methoxy-N'-propylpiperidine-1-carboximidamide
CID 102972040
N-amino-N'-cyclopropyl-3-methoxypiperidine-1-carboximidamide
CID 102972042
N-amino-3-methoxy-N'-(1-methoxypropan-2-yl)piperidine-1-carboximidamide
CID 102972043
N-amino-3-methoxy-N'-propan-2-ylpiperidine-1-carboximidamide
CID 102972044

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide?
The IUPAC name of N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide (CID 104884090) is N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide?
The canonical SMILES for N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide is CCC1COCCN1/C(=N/C1CCCCC1)NN.
What is the InChIKey of N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide?
The InChIKey is IWMBQJZXXSCDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O/c1-2-12-10-18-9-8-17(12)13(16-14)15-11-6-4-3-5-7-11/h11-12H,2-10,14H2,1H3,(H,15,16).
What are the key properties of N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide?
N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide has a molecular weight of 254.38 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclohexyl-3-ethylmorpholine-4-carboximidamide is sourced from PubChem (CID 104884090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).