cyanamide;methoxymethyl(pentan-3-yl)phosphane

C9H21N4OP — CID 87751625

IUPACcyanamide;methoxymethyl(pentan-3-yl)phosphane
SMILESCCC(CC)PCOC.N#CN.N#CN
InChIInChI=1S/C7H17OP.2CH2N2/c1-4-7(5-2)9-6-8-3;2*2-1-3/h7,9H,4-6H2,1-3H3;2*2H2
InChIKeyUGNDQNSDWFXYEE-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.31
Rot. Bonds5

About cyanamide;methoxymethyl(pentan-3-yl)phosphane

cyanamide;methoxymethyl(pentan-3-yl)phosphane (PubChem CID 87751625) has the molecular formula C9H21N4OP and a molecular weight of 232.27 g/mol. Its IUPAC name is cyanamide;methoxymethyl(pentan-3-yl)phosphane.

Molecular Properties

Compound Namecyanamide;methoxymethyl(pentan-3-yl)phosphane
PubChem CID87751625
Molecular FormulaC9H21N4OP
Molecular Weight232.27 g/mol
Exact Mass232.15
IUPAC Namecyanamide;methoxymethyl(pentan-3-yl)phosphane
SMILESCCC(CC)PCOC.N#CN.N#CN
InChIInChI=1S/C7H17OP.2CH2N2/c1-4-7(5-2)9-6-8-3;2*2-1-3/h7,9H,4-6H2,1-3H3;2*2H2
InChIKeyUGNDQNSDWFXYEE-UHFFFAOYSA-N
XLogP1.31
TPSA108.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

cyanamide;dimethoxymethane
CID 174354277
cyanamide;pentane-3-thiol
CID 87193608
(2R)-2-amino-3-methoxypropanenitrile
CID 94047442
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
butan-2-ylphosphanylformonitrile
CID 167215393
ethyl 2-cyano-2-(2-methoxyethoxy)acetate
CID 175231971
3-(2-methoxyethoxy)pentanenitrile
CID 43175037
cyanamide;titanium
CID 172844967
strontium cyanamide
CID 22399917
CID 88512913
CID 88512913
methyl 2-(cyanomethyl)butanoate
CID 15312095
butan-2-yl 2,2-dicyanoacetate
CID 88779667

Frequently Asked Questions

What is the IUPAC name of cyanamide;methoxymethyl(pentan-3-yl)phosphane?
The IUPAC name of cyanamide;methoxymethyl(pentan-3-yl)phosphane (CID 87751625) is cyanamide;methoxymethyl(pentan-3-yl)phosphane.
What is the SMILES notation for cyanamide;methoxymethyl(pentan-3-yl)phosphane?
The canonical SMILES for cyanamide;methoxymethyl(pentan-3-yl)phosphane is CCC(CC)PCOC.N#CN.N#CN.
What is the InChIKey of cyanamide;methoxymethyl(pentan-3-yl)phosphane?
The InChIKey is UGNDQNSDWFXYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17OP.2CH2N2/c1-4-7(5-2)9-6-8-3;2*2-1-3/h7,9H,4-6H2,1-3H3;2*2H2.
What are the key properties of cyanamide;methoxymethyl(pentan-3-yl)phosphane?
cyanamide;methoxymethyl(pentan-3-yl)phosphane has a molecular weight of 232.27 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyanamide;methoxymethyl(pentan-3-yl)phosphane is sourced from PubChem (CID 87751625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).