(2S)-2-aminoundecan-1-ol

C11H25NO — CID 98129192

IUPAC(2S)-2-aminoundecan-1-ol
SMILESCCCCCCCCC[C@H](N)CO
InChIInChI=1S/C11H25NO/c1-2-3-4-5-6-7-8-9-11(12)10-13/h11,13H,2-10,12H2,1H3/t11-/m0/s1
InChIKeyMVNILNMAOCFOOH-NSHDSACASA-N
MW187.33 g/mol
LogP2.45
Rot. Bonds9

About (2S)-2-aminoundecan-1-ol

(2S)-2-aminoundecan-1-ol (PubChem CID 98129192) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2S)-2-aminoundecan-1-ol.

Molecular Properties

Compound Name(2S)-2-aminoundecan-1-ol
PubChem CID98129192
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2S)-2-aminoundecan-1-ol
SMILESCCCCCCCCC[C@H](N)CO
InChIInChI=1S/C11H25NO/c1-2-3-4-5-6-7-8-9-11(12)10-13/h11,13H,2-10,12H2,1H3/t11-/m0/s1
InChIKeyMVNILNMAOCFOOH-NSHDSACASA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2S)-2-aminoundecan-1-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

2-aminononadecan-1-ol
CID 87201322
2,7-diaminononan-1-ol
CID 141295191
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
2-aminooctadecane-1,4-diol
CID 12701355
(2R,4R)-2-aminooctadecane-1,4-diol
CID 12701356
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
3-aminononan-1-ol;hydrochloride
CID 55255753
tridecan-3-amine
CID 19435959
(4R)-tridecan-4-amine
CID 150614684
icosane-5,10,16-triamine
CID 88870264

Frequently Asked Questions

What is the IUPAC name of (2S)-2-aminoundecan-1-ol?
The IUPAC name of (2S)-2-aminoundecan-1-ol (CID 98129192) is (2S)-2-aminoundecan-1-ol.
What is the SMILES notation for (2S)-2-aminoundecan-1-ol?
The canonical SMILES for (2S)-2-aminoundecan-1-ol is CCCCCCCCC[C@H](N)CO.
What is the InChIKey of (2S)-2-aminoundecan-1-ol?
The InChIKey is MVNILNMAOCFOOH-NSHDSACASA-N. The full InChI is InChI=1S/C11H25NO/c1-2-3-4-5-6-7-8-9-11(12)10-13/h11,13H,2-10,12H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-aminoundecan-1-ol?
(2S)-2-aminoundecan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.45, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-aminoundecan-1-ol is sourced from PubChem (CID 98129192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).