1-(12-methyltridecylamino)undecan-2-ol

C25H53NO — CID 87220932

IUPAC1-(12-methyltridecylamino)undecan-2-ol
SMILESCCCCCCCCCC(O)CNCCCCCCCCCCCC(C)C
InChIInChI=1S/C25H53NO/c1-4-5-6-7-11-15-18-21-25(27)23-26-22-19-16-13-10-8-9-12-14-17-20-24(2)3/h24-27H,4-23H2,1-3H3
InChIKeyYWGKMPNARGQPPJ-UHFFFAOYSA-N
MW383.71 g/mol
LogP7.63
Rot. Bonds22

About 1-(12-methyltridecylamino)undecan-2-ol

1-(12-methyltridecylamino)undecan-2-ol (PubChem CID 87220932) has the molecular formula C25H53NO and a molecular weight of 383.71 g/mol. Its IUPAC name is 1-(12-methyltridecylamino)undecan-2-ol.

Molecular Properties

Compound Name1-(12-methyltridecylamino)undecan-2-ol
PubChem CID87220932
Molecular FormulaC25H53NO
Molecular Weight383.71 g/mol
Exact Mass383.41
IUPAC Name1-(12-methyltridecylamino)undecan-2-ol
SMILESCCCCCCCCCC(O)CNCCCCCCCCCCCC(C)C
InChIInChI=1S/C25H53NO/c1-4-5-6-7-11-15-18-21-25(27)23-26-22-19-16-13-10-8-9-12-14-17-20-24(2)3/h24-27H,4-23H2,1-3H3
InChIKeyYWGKMPNARGQPPJ-UHFFFAOYSA-N
XLogP7.63
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.71
LogP ≤ 57.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(12-methyltridecylamino)undecan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[6-(2-hydroxytetradecylamino)hexylamino]tetradecan-2-ol
CID 21332395
1-(hexadecylamino)undecan-2-ol
CID 50915787
1-[7-(2-hydroxyheptylamino)heptylamino]heptan-2-ol
CID 21332422
1-[6-(2-hydroxyundecylamino)hexylamino]undecan-2-ol;dihydrobromide
CID 21332373
(2R)-1-[2-[[(2R)-2-hydroxydodecyl]amino]ethylamino]dodecan-2-ol
CID 25129899
1-[2-[2-[2-(2-hydroxytetradecylamino)ethylamino]ethylamino]ethylamino]tetradecan-2-ol
CID 46200429
1-(propylamino)hexadecan-2-ol
CID 88695975
1-[6-(2-hydroxynonylamino)hexylamino]nonan-2-ol;bis(2-hydroxypropanoic acid)
CID 159703654
1-(6-aminohexylamino)heptadecan-2-ol
CID 71383255
N-hexadecyl-18-methylnonadecan-1-amine
CID 158287107
1-(2-hydroxyoctadecylamino)octadecan-2-ol
CID 87182048
N-(6-methylheptyl)octadecan-1-amine
CID 162253708

Frequently Asked Questions

What is the IUPAC name of 1-(12-methyltridecylamino)undecan-2-ol?
The IUPAC name of 1-(12-methyltridecylamino)undecan-2-ol (CID 87220932) is 1-(12-methyltridecylamino)undecan-2-ol.
What is the SMILES notation for 1-(12-methyltridecylamino)undecan-2-ol?
The canonical SMILES for 1-(12-methyltridecylamino)undecan-2-ol is CCCCCCCCCC(O)CNCCCCCCCCCCCC(C)C.
What is the InChIKey of 1-(12-methyltridecylamino)undecan-2-ol?
The InChIKey is YWGKMPNARGQPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H53NO/c1-4-5-6-7-11-15-18-21-25(27)23-26-22-19-16-13-10-8-9-12-14-17-20-24(2)3/h24-27H,4-23H2,1-3H3.
What are the key properties of 1-(12-methyltridecylamino)undecan-2-ol?
1-(12-methyltridecylamino)undecan-2-ol has a molecular weight of 383.71 g/mol, XLogP of 7.63, 22 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(12-methyltridecylamino)undecan-2-ol is sourced from PubChem (CID 87220932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).