2-(3,3-dimethylbutylamino)ethanol

C8H19NO — CID 21304839

IUPAC2-(3,3-dimethylbutylamino)ethanol
SMILESCC(C)(C)CCNCCO
InChIInChI=1S/C8H19NO/c1-8(2,3)4-5-9-6-7-10/h9-10H,4-7H2,1-3H3
InChIKeyMJOCXMIFNYBINK-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.00
Rot. Bonds4

About 2-(3,3-dimethylbutylamino)ethanol

2-(3,3-dimethylbutylamino)ethanol (PubChem CID 21304839) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 2-(3,3-dimethylbutylamino)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethylbutylamino)ethanol
PubChem CID21304839
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name2-(3,3-dimethylbutylamino)ethanol
SMILESCC(C)(C)CCNCCO
InChIInChI=1S/C8H19NO/c1-8(2,3)4-5-9-6-7-10/h9-10H,4-7H2,1-3H3
InChIKeyMJOCXMIFNYBINK-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3,3-dimethylbutylamino)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 2-(3,3-dimethylbutylamino)ethanol?
The IUPAC name of 2-(3,3-dimethylbutylamino)ethanol (CID 21304839) is 2-(3,3-dimethylbutylamino)ethanol.
What is the SMILES notation for 2-(3,3-dimethylbutylamino)ethanol?
The canonical SMILES for 2-(3,3-dimethylbutylamino)ethanol is CC(C)(C)CCNCCO.
What is the InChIKey of 2-(3,3-dimethylbutylamino)ethanol?
The InChIKey is MJOCXMIFNYBINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)4-5-9-6-7-10/h9-10H,4-7H2,1-3H3.
What are the key properties of 2-(3,3-dimethylbutylamino)ethanol?
2-(3,3-dimethylbutylamino)ethanol has a molecular weight of 145.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutylamino)ethanol is sourced from PubChem (CID 21304839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).