3-butoxy-N,N-dipropylpropan-1-amine

C13H29NO — CID 126634565

IUPAC3-butoxy-N,N-dipropylpropan-1-amine
SMILESCCCCOCCCN(CCC)CCC
InChIInChI=1S/C13H29NO/c1-4-7-12-15-13-8-11-14(9-5-2)10-6-3/h4-13H2,1-3H3
InChIKeyZPELWKKMIARTIB-UHFFFAOYSA-N
MW215.38 g/mol
LogP3.32
Rot. Bonds11

About 3-butoxy-N,N-dipropylpropan-1-amine

3-butoxy-N,N-dipropylpropan-1-amine (PubChem CID 126634565) has the molecular formula C13H29NO and a molecular weight of 215.38 g/mol. Its IUPAC name is 3-butoxy-N,N-dipropylpropan-1-amine.

Molecular Properties

Compound Name3-butoxy-N,N-dipropylpropan-1-amine
PubChem CID126634565
Molecular FormulaC13H29NO
Molecular Weight215.38 g/mol
Exact Mass215.22
IUPAC Name3-butoxy-N,N-dipropylpropan-1-amine
SMILESCCCCOCCCN(CCC)CCC
InChIInChI=1S/C13H29NO/c1-4-7-12-15-13-8-11-14(9-5-2)10-6-3/h4-13H2,1-3H3
InChIKeyZPELWKKMIARTIB-UHFFFAOYSA-N
XLogP3.32
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.38
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-butoxy-N,N-dipropylpropan-1-amine 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 3-butoxy-N,N-dipropylpropan-1-amine?
The IUPAC name of 3-butoxy-N,N-dipropylpropan-1-amine (CID 126634565) is 3-butoxy-N,N-dipropylpropan-1-amine.
What is the SMILES notation for 3-butoxy-N,N-dipropylpropan-1-amine?
The canonical SMILES for 3-butoxy-N,N-dipropylpropan-1-amine is CCCCOCCCN(CCC)CCC.
What is the InChIKey of 3-butoxy-N,N-dipropylpropan-1-amine?
The InChIKey is ZPELWKKMIARTIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO/c1-4-7-12-15-13-8-11-14(9-5-2)10-6-3/h4-13H2,1-3H3.
What are the key properties of 3-butoxy-N,N-dipropylpropan-1-amine?
3-butoxy-N,N-dipropylpropan-1-amine has a molecular weight of 215.38 g/mol, XLogP of 3.32, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N,N-dipropylpropan-1-amine is sourced from PubChem (CID 126634565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).