1-butoxy-3-(dimethylamino)propan-2-ol

C9H21NO2 — CID 13147009

IUPAC1-butoxy-3-(dimethylamino)propan-2-ol
SMILESCCCCOCC(O)CN(C)C
InChIInChI=1S/C9H21NO2/c1-4-5-6-12-8-9(11)7-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeySDWZQKKODUFTEY-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.73
Rot. Bonds7

About 1-butoxy-3-(dimethylamino)propan-2-ol

1-butoxy-3-(dimethylamino)propan-2-ol (PubChem CID 13147009) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 1-butoxy-3-(dimethylamino)propan-2-ol.

Molecular Properties

Compound Name1-butoxy-3-(dimethylamino)propan-2-ol
PubChem CID13147009
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name1-butoxy-3-(dimethylamino)propan-2-ol
SMILESCCCCOCC(O)CN(C)C
InChIInChI=1S/C9H21NO2/c1-4-5-6-12-8-9(11)7-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeySDWZQKKODUFTEY-UHFFFAOYSA-N
XLogP0.73
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-butoxy-3-(dimethylamino)propan-2-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-butoxy-3-(dimethylamino)propan-2-ol?
The IUPAC name of 1-butoxy-3-(dimethylamino)propan-2-ol (CID 13147009) is 1-butoxy-3-(dimethylamino)propan-2-ol.
What is the SMILES notation for 1-butoxy-3-(dimethylamino)propan-2-ol?
The canonical SMILES for 1-butoxy-3-(dimethylamino)propan-2-ol is CCCCOCC(O)CN(C)C.
What is the InChIKey of 1-butoxy-3-(dimethylamino)propan-2-ol?
The InChIKey is SDWZQKKODUFTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-5-6-12-8-9(11)7-10(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 1-butoxy-3-(dimethylamino)propan-2-ol?
1-butoxy-3-(dimethylamino)propan-2-ol has a molecular weight of 175.27 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxy-3-(dimethylamino)propan-2-ol is sourced from PubChem (CID 13147009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).