1-[4-(dimethylamino)hexan-2-yloxy]ethanol

C10H23NO2 — CID 143277717

IUPAC1-[4-(dimethylamino)hexan-2-yloxy]ethanol
SMILESCCC(CC(C)OC(C)O)N(C)C
InChIInChI=1S/C10H23NO2/c1-6-10(11(4)5)7-8(2)13-9(3)12/h8-10,12H,6-7H2,1-5H3
InChIKeyPFAHBJQXYWTPBG-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.46
Rot. Bonds6

About 1-[4-(dimethylamino)hexan-2-yloxy]ethanol

1-[4-(dimethylamino)hexan-2-yloxy]ethanol (PubChem CID 143277717) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 1-[4-(dimethylamino)hexan-2-yloxy]ethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)hexan-2-yloxy]ethanol
PubChem CID143277717
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name1-[4-(dimethylamino)hexan-2-yloxy]ethanol
SMILESCCC(CC(C)OC(C)O)N(C)C
InChIInChI=1S/C10H23NO2/c1-6-10(11(4)5)7-8(2)13-9(3)12/h8-10,12H,6-7H2,1-5H3
InChIKeyPFAHBJQXYWTPBG-UHFFFAOYSA-N
XLogP1.46
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(dimethylamino)hexan-2-yloxy]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)hexan-2-yloxy]ethanol?
The IUPAC name of 1-[4-(dimethylamino)hexan-2-yloxy]ethanol (CID 143277717) is 1-[4-(dimethylamino)hexan-2-yloxy]ethanol.
What is the SMILES notation for 1-[4-(dimethylamino)hexan-2-yloxy]ethanol?
The canonical SMILES for 1-[4-(dimethylamino)hexan-2-yloxy]ethanol is CCC(CC(C)OC(C)O)N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)hexan-2-yloxy]ethanol?
The InChIKey is PFAHBJQXYWTPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-6-10(11(4)5)7-8(2)13-9(3)12/h8-10,12H,6-7H2,1-5H3.
What are the key properties of 1-[4-(dimethylamino)hexan-2-yloxy]ethanol?
1-[4-(dimethylamino)hexan-2-yloxy]ethanol has a molecular weight of 189.30 g/mol, XLogP of 1.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)hexan-2-yloxy]ethanol is sourced from PubChem (CID 143277717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).