1-(diethylamino)-2-methylpropan-1-ol

C8H19NO — CID 23342909

IUPAC1-(diethylamino)-2-methylpropan-1-ol
SMILESCCN(CC)C(O)C(C)C
InChIInChI=1S/C8H19NO/c1-5-9(6-2)8(10)7(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyZXSMNYCSWAQUJS-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.30
Rot. Bonds4

About 1-(diethylamino)-2-methylpropan-1-ol

1-(diethylamino)-2-methylpropan-1-ol (PubChem CID 23342909) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-(diethylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name1-(diethylamino)-2-methylpropan-1-ol
PubChem CID23342909
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-(diethylamino)-2-methylpropan-1-ol
SMILESCCN(CC)C(O)C(C)C
InChIInChI=1S/C8H19NO/c1-5-9(6-2)8(10)7(3)4/h7-8,10H,5-6H2,1-4H3
InChIKeyZXSMNYCSWAQUJS-UHFFFAOYSA-N
XLogP1.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(diethylamino)-2-methylpropan-1-ol 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-(diethylamino)-2-methylpropan-1-ol?
The IUPAC name of 1-(diethylamino)-2-methylpropan-1-ol (CID 23342909) is 1-(diethylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 1-(diethylamino)-2-methylpropan-1-ol?
The canonical SMILES for 1-(diethylamino)-2-methylpropan-1-ol is CCN(CC)C(O)C(C)C.
What is the InChIKey of 1-(diethylamino)-2-methylpropan-1-ol?
The InChIKey is ZXSMNYCSWAQUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-5-9(6-2)8(10)7(3)4/h7-8,10H,5-6H2,1-4H3.
What are the key properties of 1-(diethylamino)-2-methylpropan-1-ol?
1-(diethylamino)-2-methylpropan-1-ol has a molecular weight of 145.25 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 23342909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).