N-ethyl-1-(oxan-4-yl)but-3-en-1-amine

C11H21NO — CID 65334551

IUPACN-ethyl-1-(oxan-4-yl)but-3-en-1-amine
SMILESC=CCC(NCC)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-5-11(12-4-2)10-6-8-13-9-7-10/h3,10-12H,1,4-9H2,2H3
InChIKeyDMWANJKZGIGZKM-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.97
Rot. Bonds5

About N-ethyl-1-(oxan-4-yl)but-3-en-1-amine

N-ethyl-1-(oxan-4-yl)but-3-en-1-amine (PubChem CID 65334551) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)but-3-en-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)but-3-en-1-amine
PubChem CID65334551
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-ethyl-1-(oxan-4-yl)but-3-en-1-amine
SMILESC=CCC(NCC)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-5-11(12-4-2)10-6-8-13-9-7-10/h3,10-12H,1,4-9H2,2H3
InChIKeyDMWANJKZGIGZKM-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.97
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 N-ethyl-1-(oxan-4-yl)but-3-en-1-amine?
The IUPAC name of N-ethyl-1-(oxan-4-yl)but-3-en-1-amine (CID 65334551) is N-ethyl-1-(oxan-4-yl)but-3-en-1-amine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)but-3-en-1-amine?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)but-3-en-1-amine is C=CCC(NCC)C1CCOCC1.
What is the InChIKey of N-ethyl-1-(oxan-4-yl)but-3-en-1-amine?
The InChIKey is DMWANJKZGIGZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-5-11(12-4-2)10-6-8-13-9-7-10/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-ethyl-1-(oxan-4-yl)but-3-en-1-amine?
N-ethyl-1-(oxan-4-yl)but-3-en-1-amine has a molecular weight of 183.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)but-3-en-1-amine is sourced from PubChem (CID 65334551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).