5-(dibutylamino)octan-3-ol;hydrate

C16H37NO2 — CID 175204296

IUPAC5-(dibutylamino)octan-3-ol;hydrate
SMILESCCCCN(CCCC)C(CCC)CC(O)CC.O
InChIInChI=1S/C16H35NO.H2O/c1-5-9-12-17(13-10-6-2)15(11-7-3)14-16(18)8-4;/h15-16,18H,5-14H2,1-4H3;1H2
InChIKeyWOXOXJDKDMQRII-UHFFFAOYSA-N
MW275.48 g/mol
LogP3.39
Rot. Bonds12

About 5-(dibutylamino)octan-3-ol;hydrate

5-(dibutylamino)octan-3-ol;hydrate (PubChem CID 175204296) has the molecular formula C16H37NO2 and a molecular weight of 275.48 g/mol. Its IUPAC name is 5-(dibutylamino)octan-3-ol;hydrate.

Molecular Properties

Compound Name5-(dibutylamino)octan-3-ol;hydrate
PubChem CID175204296
Molecular FormulaC16H37NO2
Molecular Weight275.48 g/mol
Exact Mass275.28
IUPAC Name5-(dibutylamino)octan-3-ol;hydrate
SMILESCCCCN(CCCC)C(CCC)CC(O)CC.O
InChIInChI=1S/C16H35NO.H2O/c1-5-9-12-17(13-10-6-2)15(11-7-3)14-16(18)8-4;/h15-16,18H,5-14H2,1-4H3;1H2
InChIKeyWOXOXJDKDMQRII-UHFFFAOYSA-N
XLogP3.39
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(dibutylamino)octan-3-ol;hydrate?
The IUPAC name of 5-(dibutylamino)octan-3-ol;hydrate (CID 175204296) is 5-(dibutylamino)octan-3-ol;hydrate.
What is the SMILES notation for 5-(dibutylamino)octan-3-ol;hydrate?
The canonical SMILES for 5-(dibutylamino)octan-3-ol;hydrate is CCCCN(CCCC)C(CCC)CC(O)CC.O.
What is the InChIKey of 5-(dibutylamino)octan-3-ol;hydrate?
The InChIKey is WOXOXJDKDMQRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO.H2O/c1-5-9-12-17(13-10-6-2)15(11-7-3)14-16(18)8-4;/h15-16,18H,5-14H2,1-4H3;1H2.
What are the key properties of 5-(dibutylamino)octan-3-ol;hydrate?
5-(dibutylamino)octan-3-ol;hydrate has a molecular weight of 275.48 g/mol, XLogP of 3.39, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dibutylamino)octan-3-ol;hydrate is sourced from PubChem (CID 175204296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).