1-(dibutylamino)butan-2-ol

C12H27NO — CID 3301470

IUPAC1-(dibutylamino)butan-2-ol
SMILESCCCCN(CCCC)CC(O)CC
InChIInChI=1S/C12H27NO/c1-4-7-9-13(10-8-5-2)11-12(14)6-3/h12,14H,4-11H2,1-3H3
InChIKeyLNQQBMJYPYXJBH-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.66
Rot. Bonds9

About 1-(dibutylamino)butan-2-ol

1-(dibutylamino)butan-2-ol (PubChem CID 3301470) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-(dibutylamino)butan-2-ol.

Molecular Properties

Compound Name1-(dibutylamino)butan-2-ol
PubChem CID3301470
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-(dibutylamino)butan-2-ol
SMILESCCCCN(CCCC)CC(O)CC
InChIInChI=1S/C12H27NO/c1-4-7-9-13(10-8-5-2)11-12(14)6-3/h12,14H,4-11H2,1-3H3
InChIKeyLNQQBMJYPYXJBH-UHFFFAOYSA-N
XLogP2.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)butan-2-ol?
The IUPAC name of 1-(dibutylamino)butan-2-ol (CID 3301470) is 1-(dibutylamino)butan-2-ol.
What is the SMILES notation for 1-(dibutylamino)butan-2-ol?
The canonical SMILES for 1-(dibutylamino)butan-2-ol is CCCCN(CCCC)CC(O)CC.
What is the InChIKey of 1-(dibutylamino)butan-2-ol?
The InChIKey is LNQQBMJYPYXJBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-9-13(10-8-5-2)11-12(14)6-3/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-(dibutylamino)butan-2-ol?
1-(dibutylamino)butan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)butan-2-ol is sourced from PubChem (CID 3301470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).