tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate

C17H36N3O2P — CID 174737899

IUPACtetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate
SMILESCCCCCCCCCCCCCCOC(=O)C(P)N=C(N)N
InChIInChI=1S/C17H36N3O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-16(21)15(23)20-17(18)19/h15H,2-14,23H2,1H3,(H4,18,19,20)
InChIKeyZKKPTCNINZYEIA-UHFFFAOYSA-N
MW345.47 g/mol
LogP3.71
Rot. Bonds15

About tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate

tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate (PubChem CID 174737899) has the molecular formula C17H36N3O2P and a molecular weight of 345.47 g/mol. Its IUPAC name is tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate.

Molecular Properties

Compound Nametetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate
PubChem CID174737899
Molecular FormulaC17H36N3O2P
Molecular Weight345.47 g/mol
Exact Mass345.25
IUPAC Nametetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate
SMILESCCCCCCCCCCCCCCOC(=O)C(P)N=C(N)N
InChIInChI=1S/C17H36N3O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-16(21)15(23)20-17(18)19/h15H,2-14,23H2,1H3,(H4,18,19,20)
InChIKeyZKKPTCNINZYEIA-UHFFFAOYSA-N
XLogP3.71
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

tetratriacontyl carbonobromidate
CID 174733362
butyl 2-(diaminomethylideneamino)-2-sulfanylacetate
CID 174969222
didodecyl (2S,3S)-2,3-dihydroxybutanedioate
CID 95239962
dihexyl 2,3-dihydroxybutanedioate
CID 13021195
dipentyl 2,3-dichlorobutanedioate
CID 87640918
octacosyl carbamate
CID 160925840
1-O-(2-hydroxyethyl) 3-O-octadecyl 2-methylpropanedioate
CID 153438598
heptyl 2-aminopropanoate
CID 14657662
icosyl 2-ethylbutanoate
CID 91709792
heptadecyl (2S)-2-aminopropanoate
CID 122384608
nonadecyl 2-ethylbutanoate
CID 91709791
undecyl 2,2-dibromoacetate
CID 71430039

Frequently Asked Questions

What is the IUPAC name of tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate?
The IUPAC name of tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate (CID 174737899) is tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate.
What is the SMILES notation for tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate?
The canonical SMILES for tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate is CCCCCCCCCCCCCCOC(=O)C(P)N=C(N)N.
What is the InChIKey of tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate?
The InChIKey is ZKKPTCNINZYEIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N3O2P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-16(21)15(23)20-17(18)19/h15H,2-14,23H2,1H3,(H4,18,19,20).
What are the key properties of tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate?
tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate has a molecular weight of 345.47 g/mol, XLogP of 3.71, 15 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tetradecyl 2-(diaminomethylideneamino)-2-phosphanylacetate is sourced from PubChem (CID 174737899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).