N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine

C12H24NO3P — CID 5364903

IUPACN-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine
SMILESCCOP(=O)(/C=C/NC1CCCCC1)OCC
InChIInChI=1S/C12H24NO3P/c1-3-15-17(14,16-4-2)11-10-13-12-8-6-5-7-9-12/h10-13H,3-9H2,1-2H3/b11-10+
InChIKeyGCOCYGLSBKOTBU-ZHACJKMWSA-N
MW261.30 g/mol
LogP3.65
Rot. Bonds7

About N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine

N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine (PubChem CID 5364903) has the molecular formula C12H24NO3P and a molecular weight of 261.30 g/mol. Its IUPAC name is N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine
PubChem CID5364903
Molecular FormulaC12H24NO3P
Molecular Weight261.30 g/mol
Exact Mass261.15
IUPAC NameN-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine
SMILESCCOP(=O)(/C=C/NC1CCCCC1)OCC
InChIInChI=1S/C12H24NO3P/c1-3-15-17(14,16-4-2)11-10-13-12-8-6-5-7-9-12/h10-13H,3-9H2,1-2H3/b11-10+
InChIKeyGCOCYGLSBKOTBU-ZHACJKMWSA-N
XLogP3.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-diethoxyphosphorylcyclopentanamine
CID 14195307
(cyclohexylamino)methyl-ethoxyphosphinic acid
CID 88509490
N-cyclohexyl-2-diethoxyphosphorylacetamide
CID 88915385
[cyclohexyl(ethoxy)phosphoryl]cyclohexane;[cyclopentyl(ethoxy)phosphoryl]cyclopentane
CID 87645373
CID 134857162
CID 134857162
N-[bis[diethoxymethyl(ethoxy)phosphoryl]methyl]cycloheptanamine
CID 102231884
[ethoxy(ethyl)phosphoryl]cyclohexane
CID 66729675
1-(diethoxyphosphorylmethylidene)-2-nitrosocyclohexane
CID 174930789
chloro-cyclohexyl-[ethenyl(ethoxy)phosphoryl]oxyborane
CID 101073702
N-cyclohexylformamide;ethane
CID 143536975
ethyl 2-cyano-3-(cyclohexylamino)prop-2-enoate
CID 75266542
1-diethoxyphosphoryl-3-methylbut-1-ene
CID 71407469

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine?
The IUPAC name of N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine (CID 5364903) is N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine.
What is the SMILES notation for N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine?
The canonical SMILES for N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine is CCOP(=O)(/C=C/NC1CCCCC1)OCC.
What is the InChIKey of N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine?
The InChIKey is GCOCYGLSBKOTBU-ZHACJKMWSA-N. The full InChI is InChI=1S/C12H24NO3P/c1-3-15-17(14,16-4-2)11-10-13-12-8-6-5-7-9-12/h10-13H,3-9H2,1-2H3/b11-10+.
What are the key properties of N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine?
N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine has a molecular weight of 261.30 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-diethoxyphosphorylethenyl]cyclohexanamine is sourced from PubChem (CID 5364903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).