phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)

C15H30N3O7P — CID 173019567

IUPACphosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)
SMILESC=CCNCC=O.C=CCNCC=O.C=CCNCC=O.O=P(O)(O)O
InChIInChI=1S/3C5H9NO.H3O4P/c3*1-2-3-6-4-5-7;1-5(2,3)4/h3*2,5-6H,1,3-4H2;(H3,1,2,3,4)
InChIKeyQKMRPMLYNSINFP-UHFFFAOYSA-N
MW395.39 g/mol
LogP-1.05
Rot. Bonds12

About phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)

phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde) (PubChem CID 173019567) has the molecular formula C15H30N3O7P and a molecular weight of 395.39 g/mol. Its IUPAC name is phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde).

Molecular Properties

Compound Namephosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)
PubChem CID173019567
Molecular FormulaC15H30N3O7P
Molecular Weight395.39 g/mol
Exact Mass395.18
IUPAC Namephosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)
SMILESC=CCNCC=O.C=CCNCC=O.C=CCNCC=O.O=P(O)(O)O
InChIInChI=1S/3C5H9NO.H3O4P/c3*1-2-3-6-4-5-7;1-5(2,3)4/h3*2,5-6H,1,3-4H2;(H3,1,2,3,4)
InChIKeyQKMRPMLYNSINFP-UHFFFAOYSA-N
XLogP-1.05
TPSA165.06 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.39
LogP ≤ 5-1.05
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
CID 87466801
N-prop-2-enylprop-2-en-1-amine;dihydrochloride
CID 23073046
N-prop-2-enylprop-2-en-1-amine;hydrofluoride
CID 86146928
phosphoric acid;N-prop-2-enyldodecan-1-amine
CID 174431091
sodium;hydride;N-prop-2-enylprop-2-en-1-amine
CID 173095987
N-prop-2-enylpenta-2,4-dien-1-amine
CID 54219064
bis(prop-2-enylamino) hydrogen phosphate
CID 88835074
butanedial;phosphoric acid
CID 138592016
4-(prop-2-enylamino)but-2-enoic acid
CID 174638295
acetic acid;prop-2-en-1-amine;N-prop-2-enylprop-2-en-1-amine
CID 173127954
oxirane;N-prop-2-enylprop-2-en-1-amine
CID 174833487
tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride
CID 173294003

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)?
The IUPAC name of phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde) (CID 173019567) is phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde).
What is the SMILES notation for phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)?
The canonical SMILES for phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde) is C=CCNCC=O.C=CCNCC=O.C=CCNCC=O.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)?
The InChIKey is QKMRPMLYNSINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/3C5H9NO.H3O4P/c3*1-2-3-6-4-5-7;1-5(2,3)4/h3*2,5-6H,1,3-4H2;(H3,1,2,3,4).
What are the key properties of phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)?
phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde) has a molecular weight of 395.39 g/mol, XLogP of -1.05, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde) is sourced from PubChem (CID 173019567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).