1-amino-3-methylundecan-2-ol

C12H27NO — CID 123763620

IUPAC1-amino-3-methylundecan-2-ol
SMILESCCCCCCCCC(C)C(O)CN
InChIInChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-11(2)12(14)10-13/h11-12,14H,3-10,13H2,1-2H3
InChIKeyJUTKCYGUHWNRRG-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.69
Rot. Bonds9

About 1-amino-3-methylundecan-2-ol

1-amino-3-methylundecan-2-ol (PubChem CID 123763620) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is 1-amino-3-methylundecan-2-ol.

Molecular Properties

Compound Name1-amino-3-methylundecan-2-ol
PubChem CID123763620
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC Name1-amino-3-methylundecan-2-ol
SMILESCCCCCCCCC(C)C(O)CN
InChIInChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-11(2)12(14)10-13/h11-12,14H,3-10,13H2,1-2H3
InChIKeyJUTKCYGUHWNRRG-UHFFFAOYSA-N
XLogP2.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-amino-3-methylundecan-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

7-methylhexadecan-8-ol
CID 122652609
8-methyltetradecan-7-ol
CID 88908615
4-methyltricosan-3-ol
CID 171485506
4-methyltetratriacontan-3-ol
CID 170847937
2,3-dimethylpentadecan-1-amine
CID 81010439
4-methyltetradecan-5-ol
CID 65149403
(2R,3R)-3-methylpentadecan-2-ol
CID 94864867
8,9-dimethylhexacosane
CID 160651612
16,17-dimethyltritriacontane
CID 91506561
(10S,11S)-10,11-dimethylicosane
CID 14870619
11,12-dimethyltricosane
CID 173430605
11,12-dimethyloctacosane
CID 23345853

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-methylundecan-2-ol?
The IUPAC name of 1-amino-3-methylundecan-2-ol (CID 123763620) is 1-amino-3-methylundecan-2-ol.
What is the SMILES notation for 1-amino-3-methylundecan-2-ol?
The canonical SMILES for 1-amino-3-methylundecan-2-ol is CCCCCCCCC(C)C(O)CN.
What is the InChIKey of 1-amino-3-methylundecan-2-ol?
The InChIKey is JUTKCYGUHWNRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-3-4-5-6-7-8-9-11(2)12(14)10-13/h11-12,14H,3-10,13H2,1-2H3.
What are the key properties of 1-amino-3-methylundecan-2-ol?
1-amino-3-methylundecan-2-ol has a molecular weight of 201.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-methylundecan-2-ol is sourced from PubChem (CID 123763620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).