3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol

C13H29NO — CID 107892969

IUPAC3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol
SMILESCCCC(C)C(O)C(CC)(CC)N(C)C
InChIInChI=1S/C13H29NO/c1-7-10-11(4)12(15)13(8-2,9-3)14(5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyWCFJXNMCXDTDAI-UHFFFAOYSA-N
MW215.38 g/mol
LogP2.90
Rot. Bonds7

About 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol

3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol (PubChem CID 107892969) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol.

Molecular Properties

Compound Name3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol
PubChem CID107892969
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol
SMILESCCCC(C)C(O)C(CC)(CC)N(C)C
InChIInChI=1S/C13H29NO/c1-7-10-11(4)12(15)13(8-2,9-3)14(5)6/h11-12,15H,7-10H2,1-6H3
InChIKeyWCFJXNMCXDTDAI-UHFFFAOYSA-N
XLogP2.90
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol?
The IUPAC name of 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol (CID 107892969) is 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol.
What is the SMILES notation for 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol?
The canonical SMILES for 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol is CCCC(C)C(O)C(CC)(CC)N(C)C.
What is the InChIKey of 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol?
The InChIKey is WCFJXNMCXDTDAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-7-10-11(4)12(15)13(8-2,9-3)14(5)6/h11-12,15H,7-10H2,1-6H3.
What are the key properties of 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol?
3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol has a molecular weight of 215.38 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol is sourced from PubChem (CID 107892969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).