azane;decan-1-ol;hydrate

C10H27NO2 — CID 174925863

IUPACazane;decan-1-ol;hydrate
SMILESCCCCCCCCCCO.N.O
InChIInChI=1S/C10H22O.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11;;/h11H,2-10H2,1H3;1H3;1H2
InChIKeyNPZKLSOTSMNYTC-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.46
Rot. Bonds8

About azane;decan-1-ol;hydrate

azane;decan-1-ol;hydrate (PubChem CID 174925863) has the molecular formula C10H27NO2 and a molecular weight of 193.33 g/mol. Its IUPAC name is azane;decan-1-ol;hydrate.

Molecular Properties

Compound Nameazane;decan-1-ol;hydrate
PubChem CID174925863
Molecular FormulaC10H27NO2
Molecular Weight193.33 g/mol
Exact Mass193.20
IUPAC Nameazane;decan-1-ol;hydrate
SMILESCCCCCCCCCCO.N.O
InChIInChI=1S/C10H22O.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11;;/h11H,2-10H2,1H3;1H3;1H2
InChIKeyNPZKLSOTSMNYTC-UHFFFAOYSA-N
XLogP2.46
TPSA86.73 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

azane;nonan-1-ol
CID 87249483
bis(hexan-1-ol);zirconium;dihydrate
CID 175523338
hexan-1-ol;hydrate;hydrochloride
CID 86720799
octan-1-ol;titanium;trihydrate
CID 87862444
octan-1-ol;pentane-1,5-diol
CID 174867151
hexadecane;hexadecan-1-ol
CID 22418546
decane-1,10-diol;heptan-1-ol;nonan-1-ol;pentan-1-ol;tridecan-1-ol
CID 159582596
nonadecakis(heptane);nonan-1-ol
CID 173279398
heptan-1-ol;nonan-1-ol
CID 160785033
heptatriacontan-1-ol
CID 537071
undecan-1-ol
CID 122455065
hexan-1-ol;nonan-1-ol
CID 159104620

Frequently Asked Questions

What is the IUPAC name of azane;decan-1-ol;hydrate?
The IUPAC name of azane;decan-1-ol;hydrate (CID 174925863) is azane;decan-1-ol;hydrate.
What is the SMILES notation for azane;decan-1-ol;hydrate?
The canonical SMILES for azane;decan-1-ol;hydrate is CCCCCCCCCCO.N.O.
What is the InChIKey of azane;decan-1-ol;hydrate?
The InChIKey is NPZKLSOTSMNYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22O.H3N.H2O/c1-2-3-4-5-6-7-8-9-10-11;;/h11H,2-10H2,1H3;1H3;1H2.
What are the key properties of azane;decan-1-ol;hydrate?
azane;decan-1-ol;hydrate has a molecular weight of 193.33 g/mol, XLogP of 2.46, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;decan-1-ol;hydrate is sourced from PubChem (CID 174925863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).