6-(methylaminomethyl)decane-1,3-diol

C12H27NO2 — CID 163994481

IUPAC6-(methylaminomethyl)decane-1,3-diol
SMILESCCCCC(CCC(O)CCO)CNC
InChIInChI=1S/C12H27NO2/c1-3-4-5-11(10-13-2)6-7-12(15)8-9-14/h11-15H,3-10H2,1-2H3
InChIKeyUDMOWIIHIXZNRB-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.54
Rot. Bonds10

About 6-(methylaminomethyl)decane-1,3-diol

6-(methylaminomethyl)decane-1,3-diol (PubChem CID 163994481) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 6-(methylaminomethyl)decane-1,3-diol.

Molecular Properties

Compound Name6-(methylaminomethyl)decane-1,3-diol
PubChem CID163994481
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name6-(methylaminomethyl)decane-1,3-diol
SMILESCCCCC(CCC(O)CCO)CNC
InChIInChI=1S/C12H27NO2/c1-3-4-5-11(10-13-2)6-7-12(15)8-9-14/h11-15H,3-10H2,1-2H3
InChIKeyUDMOWIIHIXZNRB-UHFFFAOYSA-N
XLogP1.54
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(6R,9R)-3,9-diethyltridecan-6-ol
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2-ethyl-N-methylundecan-1-amine
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3-propylheptan-1-ol
CID 22492543
ethane-1,2-diol;octan-4-ol
CID 174867706
1-(methylamino)tetradecan-2-ol
CID 18332301
2-(dimethylamino)ethanol;heptane-1,3-diol
CID 174958117
(4R,7R)-7-ethyl-2-methylundecan-4-ol
CID 36690392
hexane-1,3-diol;hydrochloride
CID 141150111
tetrakis(hexane-1,3-diol);titanium
CID 173060887
CID 172776718
CID 172776718
3-butyldodecan-1-ol
CID 118576685
3-butylundecan-1-ol
CID 13109026

Frequently Asked Questions

What is the IUPAC name of 6-(methylaminomethyl)decane-1,3-diol?
The IUPAC name of 6-(methylaminomethyl)decane-1,3-diol (CID 163994481) is 6-(methylaminomethyl)decane-1,3-diol.
What is the SMILES notation for 6-(methylaminomethyl)decane-1,3-diol?
The canonical SMILES for 6-(methylaminomethyl)decane-1,3-diol is CCCCC(CCC(O)CCO)CNC.
What is the InChIKey of 6-(methylaminomethyl)decane-1,3-diol?
The InChIKey is UDMOWIIHIXZNRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-3-4-5-11(10-13-2)6-7-12(15)8-9-14/h11-15H,3-10H2,1-2H3.
What are the key properties of 6-(methylaminomethyl)decane-1,3-diol?
6-(methylaminomethyl)decane-1,3-diol has a molecular weight of 217.35 g/mol, XLogP of 1.54, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylaminomethyl)decane-1,3-diol is sourced from PubChem (CID 163994481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).