3-but-3-en-2-yloxybut-1-ene;N-ethylaniline

C16H25NO — CID 66648742

IUPAC3-but-3-en-2-yloxybut-1-ene;N-ethylaniline
SMILESC=CC(C)OC(C)C=C.CCNc1ccccc1
InChIInChI=1S/C8H11N.C8H14O/c1-2-9-8-6-4-3-5-7-8;1-5-7(3)9-8(4)6-2/h3-7,9H,2H2,1H3;5-8H,1-2H2,3-4H3
InChIKeyJQDHCTFWYBQRFR-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.27
Rot. Bonds6

About 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline

3-but-3-en-2-yloxybut-1-ene;N-ethylaniline (PubChem CID 66648742) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline.

Molecular Properties

Compound Name3-but-3-en-2-yloxybut-1-ene;N-ethylaniline
PubChem CID66648742
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name3-but-3-en-2-yloxybut-1-ene;N-ethylaniline
SMILESC=CC(C)OC(C)C=C.CCNc1ccccc1
InChIInChI=1S/C8H11N.C8H14O/c1-2-9-8-6-4-3-5-7-8;1-5-7(3)9-8(4)6-2/h3-7,9H,2H2,1H3;5-8H,1-2H2,3-4H3
InChIKeyJQDHCTFWYBQRFR-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

magnesium;N-ethylaniline;dibromide
CID 175384218
N-ethylaniline;formamide
CID 174905180
bis(N-ethylaniline);sulfuric acid
CID 172710683
N-ethylaniline;propanedioic acid
CID 67742199
N-ethylaniline;thiirene 1,1-dioxide
CID 69248918
bis(N-ethylaniline);sulfuric acid;dihydrate
CID 172803236
N-ethylaniline;2-(2-hydroxyethoxyamino)oxyethanol
CID 174909263
N-(2-propoxypropyl)aniline
CID 62585259
[but-3-en-2-yloxy(hydroperoxy)methyl]benzene
CID 10535811
2-but-3-en-2-ylperoxypropan-2-ylbenzene
CID 23166979
N-[1-(1-anilinoprop-2-enoxy)prop-2-enyl]aniline
CID 90242518
(2R,3S)-1-anilinopent-4-ene-2,3-diol
CID 14282993

Frequently Asked Questions

What is the IUPAC name of 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline?
The IUPAC name of 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline (CID 66648742) is 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline.
What is the SMILES notation for 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline?
The canonical SMILES for 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline is C=CC(C)OC(C)C=C.CCNc1ccccc1.
What is the InChIKey of 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline?
The InChIKey is JQDHCTFWYBQRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N.C8H14O/c1-2-9-8-6-4-3-5-7-8;1-5-7(3)9-8(4)6-2/h3-7,9H,2H2,1H3;5-8H,1-2H2,3-4H3.
What are the key properties of 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline?
3-but-3-en-2-yloxybut-1-ene;N-ethylaniline has a molecular weight of 247.38 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-3-en-2-yloxybut-1-ene;N-ethylaniline is sourced from PubChem (CID 66648742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).