2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol

C11H25NO — CID 123580868

IUPAC2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol
SMILESCCC(C)CC(C)(CC)C(O)NC
InChIInChI=1S/C11H25NO/c1-6-9(3)8-11(4,7-2)10(13)12-5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyGWGBPPUKOCOVPZ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.38
Rot. Bonds6

About 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol

2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol (PubChem CID 123580868) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol
PubChem CID123580868
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol
SMILESCCC(C)CC(C)(CC)C(O)NC
InChIInChI=1S/C11H25NO/c1-6-9(3)8-11(4,7-2)10(13)12-5/h9-10,12-13H,6-8H2,1-5H3
InChIKeyGWGBPPUKOCOVPZ-UHFFFAOYSA-N
XLogP2.38
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol?
The IUPAC name of 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol (CID 123580868) is 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol.
What is the SMILES notation for 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol?
The canonical SMILES for 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol is CCC(C)CC(C)(CC)C(O)NC.
What is the InChIKey of 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol?
The InChIKey is GWGBPPUKOCOVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-6-9(3)8-11(4,7-2)10(13)12-5/h9-10,12-13H,6-8H2,1-5H3.
What are the key properties of 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol?
2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol has a molecular weight of 187.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,4-dimethyl-1-(methylamino)hexan-1-ol is sourced from PubChem (CID 123580868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).