tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride

C17H51ClN5O6P — CID 173294003

IUPACtetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride
SMILESC=CCNCCCC(O)C(C)O.CNC.CNC.CNC.CNC.Cl.O=P(O)(O)O
InChIInChI=1S/C9H19NO2.4C2H7N.ClH.H3O4P/c1-3-6-10-7-4-5-9(12)8(2)11;4*1-3-2;;1-5(2,3)4/h3,8-12H,1,4-7H2,2H3;4*3H,1-2H3;1H;(H3,1,2,3,4)
InChIKeyHFPFIZJKOHEMFC-UHFFFAOYSA-N
MW488.05 g/mol
LogP-0.88
Rot. Bonds7

About tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride

tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride (PubChem CID 173294003) has the molecular formula C17H51ClN5O6P and a molecular weight of 488.05 g/mol. Its IUPAC name is tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride.

Molecular Properties

Compound Nametetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride
PubChem CID173294003
Molecular FormulaC17H51ClN5O6P
Molecular Weight488.05 g/mol
Exact Mass487.33
IUPAC Nametetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride
SMILESC=CCNCCCC(O)C(C)O.CNC.CNC.CNC.CNC.Cl.O=P(O)(O)O
InChIInChI=1S/C9H19NO2.4C2H7N.ClH.H3O4P/c1-3-6-10-7-4-5-9(12)8(2)11;4*1-3-2;;1-5(2,3)4/h3,8-12H,1,4-7H2,2H3;4*3H,1-2H3;1H;(H3,1,2,3,4)
InChIKeyHFPFIZJKOHEMFC-UHFFFAOYSA-N
XLogP-0.88
TPSA178.37 Ų
H-Bond Donors10
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.05
LogP ≤ 5-0.88
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'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

5-(prop-2-enylamino)pentan-2-ol
CID 55286599
N,N'-bis(prop-2-enyl)ethane-1,2-diamine;phosphoric acid
CID 87466801
phosphoric acid;N-prop-2-enyldodecan-1-amine
CID 174431091
17-methyl-N-prop-2-enyloctadecan-1-amine
CID 153323392
5-chloro-4-methyl-N-prop-2-enylpentan-1-amine
CID 106153268
N,N'-bis(prop-2-enyl)decane-1,10-diamine
CID 118539136
3-(4-methylpentoxy)-N-prop-2-enylpropan-1-amine
CID 164556992
phosphoric acid;tris(2-(prop-2-enylamino)acetaldehyde)
CID 173019567
dec-9-ene-2,3-diol
CID 107008756
(2R,3S)-hept-6-ene-2,3-diol
CID 102384670
7-(prop-2-enylamino)heptan-1-ol
CID 87378145
5-(prop-2-enylamino)pentan-1-ol
CID 62228256

Frequently Asked Questions

What is the IUPAC name of tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride?
The IUPAC name of tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride (CID 173294003) is tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride.
What is the SMILES notation for tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride?
The canonical SMILES for tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride is C=CCNCCCC(O)C(C)O.CNC.CNC.CNC.CNC.Cl.O=P(O)(O)O.
What is the InChIKey of tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride?
The InChIKey is HFPFIZJKOHEMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2.4C2H7N.ClH.H3O4P/c1-3-6-10-7-4-5-9(12)8(2)11;4*1-3-2;;1-5(2,3)4/h3,8-12H,1,4-7H2,2H3;4*3H,1-2H3;1H;(H3,1,2,3,4).
What are the key properties of tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride?
tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride has a molecular weight of 488.05 g/mol, XLogP of -0.88, 7 rotatable bonds, 10 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(N-methylmethanamine);phosphoric acid;6-(prop-2-enylamino)hexane-2,3-diol;hydrochloride is sourced from PubChem (CID 173294003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).