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

C11H21NO — CID 103914791

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

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

N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine (PubChem CID 103914791) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)ethyl]but-3-en-1-amine
PubChem CID103914791
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-[1-(oxan-4-yl)ethyl]but-3-en-1-amine
SMILESC=CCCNC(C)C1CCOCC1
InChIInChI=1S/C11H21NO/c1-3-4-7-12-10(2)11-5-8-13-9-6-11/h3,10-12H,1,4-9H2,2H3
InChIKeyJOJXTGDDBABOBT-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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[1-(oxan-4-yl)ethyl]but-3-en-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 N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine?
The IUPAC name of N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine (CID 103914791) is N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine.
What is the SMILES notation for N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine?
The canonical SMILES for N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine is C=CCCNC(C)C1CCOCC1.
What is the InChIKey of N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine?
The InChIKey is JOJXTGDDBABOBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-7-12-10(2)11-5-8-13-9-6-11/h3,10-12H,1,4-9H2,2H3.
What are the key properties of N-[1-(oxan-4-yl)ethyl]but-3-en-1-amine?
N-[1-(oxan-4-yl)ethyl]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-[1-(oxan-4-yl)ethyl]but-3-en-1-amine is sourced from PubChem (CID 103914791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).