1-(oxolan-2-yl)-N-propylbut-3-en-1-amine

C11H21NO — CID 65328707

IUPAC1-(oxolan-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CCCO1
InChIInChI=1S/C11H21NO/c1-3-6-10(12-8-4-2)11-7-5-9-13-11/h3,10-12H,1,4-9H2,2H3
InChIKeyXTWXOGAUOGGMCK-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds6

About 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine

1-(oxolan-2-yl)-N-propylbut-3-en-1-amine (PubChem CID 65328707) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)-N-propylbut-3-en-1-amine
PubChem CID65328707
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(oxolan-2-yl)-N-propylbut-3-en-1-amine
SMILESC=CCC(NCCC)C1CCCO1
InChIInChI=1S/C11H21NO/c1-3-6-10(12-8-4-2)11-7-5-9-13-11/h3,10-12H,1,4-9H2,2H3
InChIKeyXTWXOGAUOGGMCK-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine?
The IUPAC name of 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine (CID 65328707) is 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine.
What is the SMILES notation for 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine?
The canonical SMILES for 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine is C=CCC(NCCC)C1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine?
The InChIKey is XTWXOGAUOGGMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-6-10(12-8-4-2)11-7-5-9-13-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine?
1-(oxolan-2-yl)-N-propylbut-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)-N-propylbut-3-en-1-amine is sourced from PubChem (CID 65328707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).