1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol

C21H31NO2 — CID 2915852

IUPAC1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCCCCN(CCCC)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C21H31NO2/c1-3-5-14-22(15-6-4-2)16-19(23)17-24-21-13-9-11-18-10-7-8-12-20(18)21/h7-13,19,23H,3-6,14-17H2,1-2H3
InChIKeyZJCAHBZZKGAAAC-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.48
Rot. Bonds11

About 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol

1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol (PubChem CID 2915852) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol
PubChem CID2915852
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Name1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol
SMILESCCCCN(CCCC)CC(O)COc1cccc2ccccc12
InChIInChI=1S/C21H31NO2/c1-3-5-14-22(15-6-4-2)16-19(23)17-24-21-13-9-11-18-10-7-8-12-20(18)21/h7-13,19,23H,3-6,14-17H2,1-2H3
InChIKeyZJCAHBZZKGAAAC-UHFFFAOYSA-N
XLogP4.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol?
The IUPAC name of 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol (CID 2915852) is 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol.
What is the SMILES notation for 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol?
The canonical SMILES for 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol is CCCCN(CCCC)CC(O)COc1cccc2ccccc12.
What is the InChIKey of 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol?
The InChIKey is ZJCAHBZZKGAAAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-3-5-14-22(15-6-4-2)16-19(23)17-24-21-13-9-11-18-10-7-8-12-20(18)21/h7-13,19,23H,3-6,14-17H2,1-2H3.
What are the key properties of 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol?
1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol has a molecular weight of 329.48 g/mol, XLogP of 4.48, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)-3-naphthalen-1-yloxypropan-2-ol is sourced from PubChem (CID 2915852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).