4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine

C14H29NO — CID 166996902

IUPAC4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCOCC(C)C)N(CCC)CCC
InChIInChI=1S/C14H29NO/c1-6-9-15(10-7-2)14(5)8-11-16-12-13(3)4/h13H,5-12H2,1-4H3
InChIKeyFOMAFDRTTRTSFU-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.68
Rot. Bonds10

About 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine

4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine (PubChem CID 166996902) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine
PubChem CID166996902
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine
SMILESC=C(CCOCC(C)C)N(CCC)CCC
InChIInChI=1S/C14H29NO/c1-6-9-15(10-7-2)14(5)8-11-16-12-13(3)4/h13H,5-12H2,1-4H3
InChIKeyFOMAFDRTTRTSFU-UHFFFAOYSA-N
XLogP3.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.68
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-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine?
The IUPAC name of 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine (CID 166996902) is 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine.
What is the SMILES notation for 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine?
The canonical SMILES for 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine is C=C(CCOCC(C)C)N(CCC)CCC.
What is the InChIKey of 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine?
The InChIKey is FOMAFDRTTRTSFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-6-9-15(10-7-2)14(5)8-11-16-12-13(3)4/h13H,5-12H2,1-4H3.
What are the key properties of 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine?
4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine has a molecular weight of 227.39 g/mol, XLogP of 3.68, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N,N-dipropylbut-1-en-2-amine is sourced from PubChem (CID 166996902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).