N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine

C11H23NO2 — CID 58451736

IUPACN-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine
SMILESCCNCCOC/C=C/COC(C)C
InChIInChI=1S/C11H23NO2/c1-4-12-7-10-13-8-5-6-9-14-11(2)3/h5-6,11-12H,4,7-10H2,1-3H3/b6-5+
InChIKeyNSFPGYFWUPLBLJ-AATRIKPKSA-N
MW201.31 g/mol
LogP1.59
Rot. Bonds9

About N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine

N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine (PubChem CID 58451736) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine
PubChem CID58451736
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC NameN-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine
SMILESCCNCCOC/C=C/COC(C)C
InChIInChI=1S/C11H23NO2/c1-4-12-7-10-13-8-5-6-9-14-11(2)3/h5-6,11-12H,4,7-10H2,1-3H3/b6-5+
InChIKeyNSFPGYFWUPLBLJ-AATRIKPKSA-N
XLogP1.59
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.59
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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Launch Full Analysis

Related Compounds

2-but-2-enoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 76946772
2-[2-[2-[(E)-but-2-enoxy]ethylamino]ethylamino]ethanol
CID 22094679
(9Z)-1,7-dioxa-4-azacycloundec-9-ene
CID 22899052
(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
CID 22899053
Bis-(2-allyloxy-ethyl)-amine
CID 22899057
1,7-Dioxa-4-azacycloundec-9-ene
CID 53730540
1,4,10,13-Tetraoxa-7-azacycloheptadec-15-ene
CID 54095916
4-methoxy-N-(4-methoxybut-2-enyl)but-2-en-1-amine
CID 54470131
(E)-4-methoxy-N-[(E)-4-methoxybut-2-enyl]but-2-en-1-amine
CID 57436593
2-buta-1,3-dien-2-yloxy-N-(2-buta-1,3-dien-2-yloxyethyl)ethanamine
CID 57764963
Bis(2-prop-2-enoxyethyl)azanium
CID 57895943
N-ethyl-4-[(E)-4-propan-2-yloxybut-2-enoxy]butan-1-amine
CID 58451746

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine?
The IUPAC name of N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine (CID 58451736) is N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine.
What is the SMILES notation for N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine?
The canonical SMILES for N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine is CCNCCOC/C=C/COC(C)C.
What is the InChIKey of N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine?
The InChIKey is NSFPGYFWUPLBLJ-AATRIKPKSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-12-7-10-13-8-5-6-9-14-11(2)3/h5-6,11-12H,4,7-10H2,1-3H3/b6-5+.
What are the key properties of N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine?
N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine has a molecular weight of 201.31 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(E)-4-propan-2-yloxybut-2-enoxy]ethanamine is sourced from PubChem (CID 58451736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).