4-propoxy-N,N-dipropylbut-1-en-2-amine

C13H27NO — CID 166996467

IUPAC4-propoxy-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCOCCC)N(CCC)CCC
InChIInChI=1S/C13H27NO/c1-5-9-14(10-6-2)13(4)8-12-15-11-7-3/h4-12H2,1-3H3
InChIKeySTGBNKYTMWAUMI-UHFFFAOYSA-N
MW213.36 g/mol
LogP3.44
Rot. Bonds10

About 4-propoxy-N,N-dipropylbut-1-en-2-amine

4-propoxy-N,N-dipropylbut-1-en-2-amine (PubChem CID 166996467) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-propoxy-N,N-dipropylbut-1-en-2-amine.

Molecular Properties

Compound Name4-propoxy-N,N-dipropylbut-1-en-2-amine
PubChem CID166996467
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-propoxy-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCOCCC)N(CCC)CCC
InChIInChI=1S/C13H27NO/c1-5-9-14(10-6-2)13(4)8-12-15-11-7-3/h4-12H2,1-3H3
InChIKeySTGBNKYTMWAUMI-UHFFFAOYSA-N
XLogP3.44
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 4-propoxy-N,N-dipropylbut-1-en-2-amine?
The IUPAC name of 4-propoxy-N,N-dipropylbut-1-en-2-amine (CID 166996467) is 4-propoxy-N,N-dipropylbut-1-en-2-amine.
What is the SMILES notation for 4-propoxy-N,N-dipropylbut-1-en-2-amine?
The canonical SMILES for 4-propoxy-N,N-dipropylbut-1-en-2-amine is C=C(CCOCCC)N(CCC)CCC.
What is the InChIKey of 4-propoxy-N,N-dipropylbut-1-en-2-amine?
The InChIKey is STGBNKYTMWAUMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-5-9-14(10-6-2)13(4)8-12-15-11-7-3/h4-12H2,1-3H3.
What are the key properties of 4-propoxy-N,N-dipropylbut-1-en-2-amine?
4-propoxy-N,N-dipropylbut-1-en-2-amine has a molecular weight of 213.36 g/mol, XLogP of 3.44, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-N,N-dipropylbut-1-en-2-amine is sourced from PubChem (CID 166996467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).