deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride

C13H37FN2O2Pt — CID 162172289

IUPACdeuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride
SMILESC/N=C/C=N/CCCO.CC.CC.CC.CO.F.[H][2H].[Pt]
InChIInChI=1S/C6H12N2O.3C2H6.CH4O.FH.Pt.H2/c1-7-4-5-8-3-2-6-9;4*1-2;;;/h4-5,9H,2-3,6H2,1H3;3*1-2H3;2H,1H3;1H;;1H/b7-4+,8-5+;;;;;;;/i;;;;;;;1+1
InChIKeyVEHHWRXWSKJBDU-ZRAGWKBJSA-N
MW468.53 g/mol
LogP3.22
Rot. Bonds4

About deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride

deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride (PubChem CID 162172289) has the molecular formula C13H37FN2O2Pt and a molecular weight of 468.53 g/mol. Its IUPAC name is deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride.

Molecular Properties

Compound Namedeuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride
PubChem CID162172289
Molecular FormulaC13H37FN2O2Pt
Molecular Weight468.53 g/mol
Exact Mass468.25
IUPAC Namedeuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride
SMILESC/N=C/C=N/CCCO.CC.CC.CC.CO.F.[H][2H].[Pt]
InChIInChI=1S/C6H12N2O.3C2H6.CH4O.FH.Pt.H2/c1-7-4-5-8-3-2-6-9;4*1-2;;;/h4-5,9H,2-3,6H2,1H3;3*1-2H3;2H,1H3;1H;;1H/b7-4+,8-5+;;;;;;;/i;;;;;;;1+1
InChIKeyVEHHWRXWSKJBDU-ZRAGWKBJSA-N
XLogP3.22
TPSA65.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-(3-hydroxypropylimino)-2-methylpropanamide
CID 123621342
N'-(5-hydroxypentyl)-N,N-dimethylmethanimidamide
CID 10820850
3-(anthracen-9-ylmethylideneamino)propan-1-ol
CID 4598040
2-(hexylideneamino)ethanol
CID 130130159
butan-1-ol;methanol
CID 23065762
(Z)-6-methylhept-4-en-1-ol
CID 13494537
6-[[4-(6-hydroxyhexyliminomethyl)phenyl]methylideneamino]hexan-1-ol
CID 59344390
3-azidopropan-1-ol
CID 10996974
heptadec-1-ene-1,17-diol
CID 142730253
(E)-hexadec-1-ene-1,16-diol
CID 57427575
butan-1-ol;ethenol
CID 174734131
ethane;formamide;heptane-1,7-diol
CID 176682059

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride?
The IUPAC name of deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride (CID 162172289) is deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride.
What is the SMILES notation for deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride?
The canonical SMILES for deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride is C/N=C/C=N/CCCO.CC.CC.CC.CO.F.[H][2H].[Pt].
What is the InChIKey of deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride?
The InChIKey is VEHHWRXWSKJBDU-ZRAGWKBJSA-N. The full InChI is InChI=1S/C6H12N2O.3C2H6.CH4O.FH.Pt.H2/c1-7-4-5-8-3-2-6-9;4*1-2;;;/h4-5,9H,2-3,6H2,1H3;3*1-2H3;2H,1H3;1H;;1H/b7-4+,8-5+;;;;;;;/i;;;;;;;1+1.
What are the key properties of deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride?
deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride has a molecular weight of 468.53 g/mol, XLogP of 3.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;ethane;methanol;3-(2-methyliminoethylideneamino)propan-1-ol;platinum;hydrofluoride is sourced from PubChem (CID 162172289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).