1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol

C9H21NO2 — CID 23180390

IUPAC1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)6-8(12)7-10-4-5-11/h8,10-12H,4-7H2,1-3H3
InChIKeyRZEYVBMORSSUET-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.37
Rot. Bonds5

About 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol

1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol (PubChem CID 23180390) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol
PubChem CID23180390
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCCO
InChIInChI=1S/C9H21NO2/c1-9(2,3)6-8(12)7-10-4-5-11/h8,10-12H,4-7H2,1-3H3
InChIKeyRZEYVBMORSSUET-UHFFFAOYSA-N
XLogP0.37
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol (CID 23180390) is 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCCO.
What is the InChIKey of 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is RZEYVBMORSSUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(2,3)6-8(12)7-10-4-5-11/h8,10-12H,4-7H2,1-3H3.
What are the key properties of 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol?
1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 23180390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).