2-[3-(dimethylamino)propoxy]butan-1-ol

C9H21NO2 — CID 19909199

IUPAC2-[3-(dimethylamino)propoxy]butan-1-ol
SMILESCCC(CO)OCCCN(C)C
InChIInChI=1S/C9H21NO2/c1-4-9(8-11)12-7-5-6-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyKBSMNJJXSRFVRN-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.73
Rot. Bonds7

About 2-[3-(dimethylamino)propoxy]butan-1-ol

2-[3-(dimethylamino)propoxy]butan-1-ol (PubChem CID 19909199) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propoxy]butan-1-ol.

Molecular Properties

Compound Name2-[3-(dimethylamino)propoxy]butan-1-ol
PubChem CID19909199
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[3-(dimethylamino)propoxy]butan-1-ol
SMILESCCC(CO)OCCCN(C)C
InChIInChI=1S/C9H21NO2/c1-4-9(8-11)12-7-5-6-10(2)3/h9,11H,4-8H2,1-3H3
InChIKeyKBSMNJJXSRFVRN-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propoxy]butan-1-ol?
The IUPAC name of 2-[3-(dimethylamino)propoxy]butan-1-ol (CID 19909199) is 2-[3-(dimethylamino)propoxy]butan-1-ol.
What is the SMILES notation for 2-[3-(dimethylamino)propoxy]butan-1-ol?
The canonical SMILES for 2-[3-(dimethylamino)propoxy]butan-1-ol is CCC(CO)OCCCN(C)C.
What is the InChIKey of 2-[3-(dimethylamino)propoxy]butan-1-ol?
The InChIKey is KBSMNJJXSRFVRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-9(8-11)12-7-5-6-10(2)3/h9,11H,4-8H2,1-3H3.
What are the key properties of 2-[3-(dimethylamino)propoxy]butan-1-ol?
2-[3-(dimethylamino)propoxy]butan-1-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 2-[3-(dimethylamino)propoxy]butan-1-ol is sourced from PubChem (CID 19909199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).