2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine

C14H27NO2 — CID 121299823

IUPAC2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine
SMILESCCC=COCCN(CC)CCOC=CCC
InChIInChI=1S/C14H27NO2/c1-4-7-11-16-13-9-15(6-3)10-14-17-12-8-5-2/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyFNHKWZYVSPVJFR-UHFFFAOYSA-N
MW241.38 g/mol
LogP3.19
Rot. Bonds11

About 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine

2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine (PubChem CID 121299823) has the molecular formula C14H27NO2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine.

Molecular Properties

Compound Name2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine
PubChem CID121299823
Molecular FormulaC14H27NO2
Molecular Weight241.38 g/mol
Exact Mass241.20
IUPAC Name2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine
SMILESCCC=COCCN(CC)CCOC=CCC
InChIInChI=1S/C14H27NO2/c1-4-7-11-16-13-9-15(6-3)10-14-17-12-8-5-2/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3
InChIKeyFNHKWZYVSPVJFR-UHFFFAOYSA-N
XLogP3.19
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,4-bis[(E)-but-1-enoxy]butane
CID 22051874
1-(2-chloroethoxy)but-1-ene
CID 123683593
1-(2-methoxyethoxy)but-1-ene
CID 54192618
1-[(E)-but-1-enoxy]butane
CID 5364928
1-[(E)-but-1-enoxy]heptane
CID 5366295
2-[2-(2-but-1-enoxyethoxy)ethoxy]ethanol
CID 140501157
3-but-1-enoxypropyl(trichloro)silane
CID 141105534
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
(Z)-N,N-diethylpent-2-en-1-amine
CID 5365213
4-but-1-enoxybutyl acetate
CID 86593756
4-(3-but-1-enoxypropyl)-N,N-dipropylaniline
CID 66685872

Frequently Asked Questions

What is the IUPAC name of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine?
The IUPAC name of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine (CID 121299823) is 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine.
What is the SMILES notation for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine?
The canonical SMILES for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine is CCC=COCCN(CC)CCOC=CCC.
What is the InChIKey of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine?
The InChIKey is FNHKWZYVSPVJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-7-11-16-13-9-15(6-3)10-14-17-12-8-5-2/h7-8,11-12H,4-6,9-10,13-14H2,1-3H3.
What are the key properties of 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine?
2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine has a molecular weight of 241.38 g/mol, XLogP of 3.19, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-1-enoxy-N-(2-but-1-enoxyethyl)-N-ethylethanamine is sourced from PubChem (CID 121299823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).