9-amino-2-methyldodecane-3,5,7-triol

C13H29NO3 — CID 89065903

IUPAC9-amino-2-methyldodecane-3,5,7-triol
SMILESCCCC(N)CC(O)CC(O)CC(O)C(C)C
InChIInChI=1S/C13H29NO3/c1-4-5-10(14)6-11(15)7-12(16)8-13(17)9(2)3/h9-13,15-17H,4-8,14H2,1-3H3
InChIKeyQGDCIUHJCKLVSK-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.02
Rot. Bonds9

About 9-amino-2-methyldodecane-3,5,7-triol

9-amino-2-methyldodecane-3,5,7-triol (PubChem CID 89065903) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 9-amino-2-methyldodecane-3,5,7-triol.

Molecular Properties

Compound Name9-amino-2-methyldodecane-3,5,7-triol
PubChem CID89065903
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name9-amino-2-methyldodecane-3,5,7-triol
SMILESCCCC(N)CC(O)CC(O)CC(O)C(C)C
InChIInChI=1S/C13H29NO3/c1-4-5-10(14)6-11(15)7-12(16)8-13(17)9(2)3/h9-13,15-17H,4-8,14H2,1-3H3
InChIKeyQGDCIUHJCKLVSK-UHFFFAOYSA-N
XLogP1.02
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,5R)-2,7-dimethyloctane-3,5-diol
CID 14895751
nonane-2,4,6-triol
CID 87069137
(4S,6S)-6-aminonon-1-en-4-ol
CID 16744633
(3R,5S)-2-methylheptane-3,5-diol
CID 134975800
(3S,5S)-2-methylundecane-3,5-diol
CID 14784007
(5R,7S)-7-aminoundecan-5-ol
CID 13234597
(3R)-5-amino-2,7-dimethyloctan-3-ol
CID 167246678
(2S,3S)-2-aminohexan-3-ol
CID 55285025
heptane-2,4-diol
CID 161420509
3,10-diaminododecane-5,8-diol
CID 165390918
6-ethyloctan-4-amine
CID 82920638
azane;heptan-4-amine
CID 118430725

Frequently Asked Questions

What is the IUPAC name of 9-amino-2-methyldodecane-3,5,7-triol?
The IUPAC name of 9-amino-2-methyldodecane-3,5,7-triol (CID 89065903) is 9-amino-2-methyldodecane-3,5,7-triol.
What is the SMILES notation for 9-amino-2-methyldodecane-3,5,7-triol?
The canonical SMILES for 9-amino-2-methyldodecane-3,5,7-triol is CCCC(N)CC(O)CC(O)CC(O)C(C)C.
What is the InChIKey of 9-amino-2-methyldodecane-3,5,7-triol?
The InChIKey is QGDCIUHJCKLVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-5-10(14)6-11(15)7-12(16)8-13(17)9(2)3/h9-13,15-17H,4-8,14H2,1-3H3.
What are the key properties of 9-amino-2-methyldodecane-3,5,7-triol?
9-amino-2-methyldodecane-3,5,7-triol has a molecular weight of 247.38 g/mol, XLogP of 1.02, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-2-methyldodecane-3,5,7-triol is sourced from PubChem (CID 89065903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).