N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide

C12H21N3O2 — CID 2854785

IUPACN-(cyclohexylideneamino)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=C1CCCCC1
InChIInChI=1S/C12H21N3O2/c16-12(10-15-6-8-17-9-7-15)14-13-11-4-2-1-3-5-11/h1-10H2,(H,14,16)
InChIKeyGKXLJQKYSIRBDR-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.75
Rot. Bonds3

About N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide

N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide (PubChem CID 2854785) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-(cyclohexylideneamino)-2-morpholin-4-ylacetamide
PubChem CID2854785
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(cyclohexylideneamino)-2-morpholin-4-ylacetamide
SMILESO=C(CN1CCOCC1)NN=C1CCCCC1
InChIInChI=1S/C12H21N3O2/c16-12(10-15-6-8-17-9-7-15)14-13-11-4-2-1-3-5-11/h1-10H2,(H,14,16)
InChIKeyGKXLJQKYSIRBDR-UHFFFAOYSA-N
XLogP0.75
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide?
The IUPAC name of N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide (CID 2854785) is N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide?
The canonical SMILES for N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide is O=C(CN1CCOCC1)NN=C1CCCCC1.
What is the InChIKey of N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide?
The InChIKey is GKXLJQKYSIRBDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c16-12(10-15-6-8-17-9-7-15)14-13-11-4-2-1-3-5-11/h1-10H2,(H,14,16).
What are the key properties of N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide?
N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide has a molecular weight of 239.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylideneamino)-2-morpholin-4-ylacetamide is sourced from PubChem (CID 2854785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).