1-(diethylamino)octan-3-ol

C12H27NO — CID 79086680

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

About 1-(diethylamino)octan-3-ol

1-(diethylamino)octan-3-ol (PubChem CID 79086680) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-(diethylamino)octan-3-ol.

Molecular Properties

Compound Name1-(diethylamino)octan-3-ol
PubChem CID79086680
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-(diethylamino)octan-3-ol
SMILESCCCCCC(O)CCN(CC)CC
InChIInChI=1S/C12H27NO/c1-4-7-8-9-12(14)10-11-13(5-2)6-3/h12,14H,4-11H2,1-3H3
InChIKeyNNUCRZAQKAQEAH-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

Computed Properties (RDKit)

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

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Related Compounds

1-[butyl(dodecyl)amino]dodecan-3-ol
CID 175014380
nonacosane-7,20-diol
CID 174949468
(7R)-hexatriacontan-7-ol
CID 88529159
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437
5-(diethylamino)pentane-1,3-diol
CID 87982279
(5S)-octadecan-5-ol
CID 98231191
icosane-5,11-diol
CID 170722582

Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)octan-3-ol?
The IUPAC name of 1-(diethylamino)octan-3-ol (CID 79086680) is 1-(diethylamino)octan-3-ol.
What is the SMILES notation for 1-(diethylamino)octan-3-ol?
The canonical SMILES for 1-(diethylamino)octan-3-ol is CCCCCC(O)CCN(CC)CC.
What is the InChIKey of 1-(diethylamino)octan-3-ol?
The InChIKey is NNUCRZAQKAQEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-4-7-8-9-12(14)10-11-13(5-2)6-3/h12,14H,4-11H2,1-3H3.
What are the key properties of 1-(diethylamino)octan-3-ol?
1-(diethylamino)octan-3-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-(diethylamino)octan-3-ol is sourced from PubChem (CID 79086680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).