3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol

C16H35NO2 — CID 19928714

IUPAC3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol
SMILESCNC(CO)C(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C16H35NO2/c1-13(2)8-6-9-14(3)10-7-11-16(4,19)15(12-18)17-5/h13-15,17-19H,6-12H2,1-5H3
InChIKeyLCIWWMFNDBZAFP-UHFFFAOYSA-N
MW273.46 g/mol
LogP2.95
Rot. Bonds11

About 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol

3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol (PubChem CID 19928714) has the molecular formula C16H35NO2 and a molecular weight of 273.46 g/mol. Its IUPAC name is 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol.

Molecular Properties

Compound Name3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol
PubChem CID19928714
Molecular FormulaC16H35NO2
Molecular Weight273.46 g/mol
Exact Mass273.27
IUPAC Name3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol
SMILESCNC(CO)C(C)(O)CCCC(C)CCCC(C)C
InChIInChI=1S/C16H35NO2/c1-13(2)8-6-9-14(3)10-7-11-16(4,19)15(12-18)17-5/h13-15,17-19H,6-12H2,1-5H3
InChIKeyLCIWWMFNDBZAFP-UHFFFAOYSA-N
XLogP2.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.46
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol?
The IUPAC name of 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol (CID 19928714) is 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol.
What is the SMILES notation for 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol?
The canonical SMILES for 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol is CNC(CO)C(C)(O)CCCC(C)CCCC(C)C.
What is the InChIKey of 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol?
The InChIKey is LCIWWMFNDBZAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO2/c1-13(2)8-6-9-14(3)10-7-11-16(4,19)15(12-18)17-5/h13-15,17-19H,6-12H2,1-5H3.
What are the key properties of 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol?
3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol has a molecular weight of 273.46 g/mol, XLogP of 2.95, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,11-trimethyl-2-(methylamino)dodecane-1,3-diol is sourced from PubChem (CID 19928714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).