2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine

C10H21NO2 — CID 103227726

IUPAC2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine
SMILESC=CCCOC(CNCC)COC
InChIInChI=1S/C10H21NO2/c1-4-6-7-13-10(9-12-3)8-11-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyXFCPVGXPZNJCDN-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.20
Rot. Bonds9

About 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine

2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103227726) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine
PubChem CID103227726
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine
SMILESC=CCCOC(CNCC)COC
InChIInChI=1S/C10H21NO2/c1-4-6-7-13-10(9-12-3)8-11-5-2/h4,10-11H,1,5-9H2,2-3H3
InChIKeyXFCPVGXPZNJCDN-UHFFFAOYSA-N
XLogP1.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-but-3-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62599036
2-ethoxy-N-ethylpent-4-en-1-amine
CID 19107607
(E)-N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 22094762
N-[2-[2-[2-(but-3-enylamino)ethoxy]ethoxy]ethyl]but-2-en-1-amine
CID 73864940
N-(2-but-3-enoxyethyl)-2-propoxyethanamine
CID 106401975
N-(2-hepta-1,6-dien-4-yloxyethyl)propan-1-amine
CID 138465335
3-but-3-enoxy-N-(2-ethoxyethyl)butan-1-amine
CID 139417949
2-(2-but-3-enoxyethoxy)-N-methylethanamine;2-methoxy-2-methylpropane;propane
CID 145018893
2-Prop-2-enyl-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane
CID 145850424
2-[2-[(2R)-pent-4-en-2-yl]oxyethylamino]ethanol
CID 163706315
(3R,4S)-3-but-3-enoxy-4-methoxypiperidine
CID 170563826
N-[2-[2-[2-(2-methylbut-3-enoxy)ethoxy]ethoxy]ethyl]propan-2-amine
CID 171646718

Frequently Asked Questions

What is the IUPAC name of 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine (CID 103227726) is 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine is C=CCCOC(CNCC)COC.
What is the InChIKey of 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is XFCPVGXPZNJCDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-4-6-7-13-10(9-12-3)8-11-5-2/h4,10-11H,1,5-9H2,2-3H3.
What are the key properties of 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine?
2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 187.28 g/mol, XLogP of 1.20, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enoxy-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103227726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).