1-(dibutylamino)butan-1-ol

C12H27NO — CID 19802147

IUPAC1-(dibutylamino)butan-1-ol
SMILESCCCCN(CCCC)C(O)CCC
InChIInChI=1S/C12H27NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h12,14H,4-11H2,1-3H3
InChIKeyIEFAIAJPRUURNH-UHFFFAOYSA-N
MW201.35 g/mol
LogP3.01
Rot. Bonds9

About 1-(dibutylamino)butan-1-ol

1-(dibutylamino)butan-1-ol (PubChem CID 19802147) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-(dibutylamino)butan-1-ol.

Molecular Properties

Compound Name1-(dibutylamino)butan-1-ol
PubChem CID19802147
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-(dibutylamino)butan-1-ol
SMILESCCCCN(CCCC)C(O)CCC
InChIInChI=1S/C12H27NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h12,14H,4-11H2,1-3H3
InChIKeyIEFAIAJPRUURNH-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)butan-1-ol?
The IUPAC name of 1-(dibutylamino)butan-1-ol (CID 19802147) is 1-(dibutylamino)butan-1-ol.
What is the SMILES notation for 1-(dibutylamino)butan-1-ol?
The canonical SMILES for 1-(dibutylamino)butan-1-ol is CCCCN(CCCC)C(O)CCC.
What is the InChIKey of 1-(dibutylamino)butan-1-ol?
The InChIKey is IEFAIAJPRUURNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-10-13(11-8-5-2)12(14)9-6-3/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-(dibutylamino)butan-1-ol?
1-(dibutylamino)butan-1-ol has a molecular weight of 201.35 g/mol, XLogP of 3.01, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)butan-1-ol is sourced from PubChem (CID 19802147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).