1-(dibutylamino)undecan-2-ol

C19H41NO — CID 101275149

IUPAC1-(dibutylamino)undecan-2-ol
SMILESCCCCCCCCCC(O)CN(CCCC)CCCC
InChIInChI=1S/C19H41NO/c1-4-7-10-11-12-13-14-15-19(21)18-20(16-8-5-2)17-9-6-3/h19,21H,4-18H2,1-3H3
InChIKeyAXGUDLMQHRFHSA-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.39
Rot. Bonds16

About 1-(dibutylamino)undecan-2-ol

1-(dibutylamino)undecan-2-ol (PubChem CID 101275149) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 1-(dibutylamino)undecan-2-ol.

Molecular Properties

Compound Name1-(dibutylamino)undecan-2-ol
PubChem CID101275149
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name1-(dibutylamino)undecan-2-ol
SMILESCCCCCCCCCC(O)CN(CCCC)CCCC
InChIInChI=1S/C19H41NO/c1-4-7-10-11-12-13-14-15-19(21)18-20(16-8-5-2)17-9-6-3/h19,21H,4-18H2,1-3H3
InChIKeyAXGUDLMQHRFHSA-UHFFFAOYSA-N
XLogP5.39
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-[[(2R)-2-hydroxydodecyl]-pentylamino]dodecan-2-ol
CID 144985798
1-[3-aminopropyl-[13-[3-aminopropyl(2-hydroxytetradecyl)amino]tridecyl]amino]tetradecan-2-ol
CID 59095622
1-[3-aminopropyl-[12-[3-aminopropyl(2-hydroxyhexadecyl)amino]dodecyl]amino]hexadecan-2-ol
CID 71359787
1-[2-hydroxydodecyl(3-sulfanylpropyl)amino]dodecan-2-ol
CID 162693417
1-[4-hydroxybutyl(2-hydroxydodecyl)amino]dodecan-2-ol
CID 171428816
1-[3-(dimethylamino)propyl-(2-hydroxyoctadecyl)amino]nonadecan-2-ol
CID 86567590
tetrakis[3-[bis(2-hydroxytetradecyl)amino]propyl]azanium
CID 88928952
1-[2-hydroxyethyl(2-hydroxyoctyl)amino]octan-2-ol
CID 101275199
1-[2-hydroxyoctadecyl(4-sulfanylbutyl)amino]octadecan-2-ol
CID 162693436
1-[butyl(decoxymethyl)amino]dodecan-2-ol
CID 170126439
1-[2-hydroxydodecyl-(5-methoxy-4-methylhexyl)amino]dodecan-2-ol
CID 139352416
1-[butyl(dodecyl)amino]dodecan-3-ol
CID 175014380

Frequently Asked Questions

What is the IUPAC name of 1-(dibutylamino)undecan-2-ol?
The IUPAC name of 1-(dibutylamino)undecan-2-ol (CID 101275149) is 1-(dibutylamino)undecan-2-ol.
What is the SMILES notation for 1-(dibutylamino)undecan-2-ol?
The canonical SMILES for 1-(dibutylamino)undecan-2-ol is CCCCCCCCCC(O)CN(CCCC)CCCC.
What is the InChIKey of 1-(dibutylamino)undecan-2-ol?
The InChIKey is AXGUDLMQHRFHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-4-7-10-11-12-13-14-15-19(21)18-20(16-8-5-2)17-9-6-3/h19,21H,4-18H2,1-3H3.
What are the key properties of 1-(dibutylamino)undecan-2-ol?
1-(dibutylamino)undecan-2-ol has a molecular weight of 299.54 g/mol, XLogP of 5.39, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dibutylamino)undecan-2-ol is sourced from PubChem (CID 101275149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).