8-(undecylamino)octan-1-ol

C19H41NO — CID 139305047

IUPAC8-(undecylamino)octan-1-ol
SMILESCCCCCCCCCCCNCCCCCCCCO
InChIInChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-11-14-17-20-18-15-12-9-10-13-16-19-21/h20-21H,2-19H2,1H3
InChIKeyYGWJDZBBKLTXFM-UHFFFAOYSA-N
MW299.54 g/mol
LogP5.44
Rot. Bonds18

About 8-(undecylamino)octan-1-ol

8-(undecylamino)octan-1-ol (PubChem CID 139305047) has the molecular formula C19H41NO and a molecular weight of 299.54 g/mol. Its IUPAC name is 8-(undecylamino)octan-1-ol.

Molecular Properties

Compound Name8-(undecylamino)octan-1-ol
PubChem CID139305047
Molecular FormulaC19H41NO
Molecular Weight299.54 g/mol
Exact Mass299.32
IUPAC Name8-(undecylamino)octan-1-ol
SMILESCCCCCCCCCCCNCCCCCCCCO
InChIInChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-11-14-17-20-18-15-12-9-10-13-16-19-21/h20-21H,2-19H2,1H3
InChIKeyYGWJDZBBKLTXFM-UHFFFAOYSA-N
XLogP5.44
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.54
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(octylamino)butan-1-ol;hydrochloride
CID 71413305
dodecan-1-ol;2-(2-hydroxyethylamino)ethanol
CID 174424821
4-[(pentylamino)methylamino]butan-1-ol
CID 138491403
2-(2-hydroxyethylamino)ethanol;N-pentylpentan-1-amine
CID 161423739
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-octyloctan-1-amine;5-(propan-2-ylamino)pentan-1-ol
CID 21412290
2-aminoethanol;N-octyloctan-1-amine
CID 158421885

Frequently Asked Questions

What is the IUPAC name of 8-(undecylamino)octan-1-ol?
The IUPAC name of 8-(undecylamino)octan-1-ol (CID 139305047) is 8-(undecylamino)octan-1-ol.
What is the SMILES notation for 8-(undecylamino)octan-1-ol?
The canonical SMILES for 8-(undecylamino)octan-1-ol is CCCCCCCCCCCNCCCCCCCCO.
What is the InChIKey of 8-(undecylamino)octan-1-ol?
The InChIKey is YGWJDZBBKLTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H41NO/c1-2-3-4-5-6-7-8-11-14-17-20-18-15-12-9-10-13-16-19-21/h20-21H,2-19H2,1H3.
What are the key properties of 8-(undecylamino)octan-1-ol?
8-(undecylamino)octan-1-ol has a molecular weight of 299.54 g/mol, XLogP of 5.44, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(undecylamino)octan-1-ol is sourced from PubChem (CID 139305047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).