5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine

C12H25NO — CID 142831052

IUPAC5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine
SMILESC/C=C\COCCCC(C)N(C)CC
InChIInChI=1S/C12H25NO/c1-5-7-10-14-11-8-9-12(3)13(4)6-2/h5,7,12H,6,8-11H2,1-4H3/b7-5-
InChIKeyGDTWBFNYEOSUIN-ALCCZGGFSA-N
MW199.34 g/mol
LogP2.70
Rot. Bonds8

About 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine

5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine (PubChem CID 142831052) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine
PubChem CID142831052
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine
SMILESC/C=C\COCCCC(C)N(C)CC
InChIInChI=1S/C12H25NO/c1-5-7-10-14-11-8-9-12(3)13(4)6-2/h5,7,12H,6,8-11H2,1-4H3/b7-5-
InChIKeyGDTWBFNYEOSUIN-ALCCZGGFSA-N
XLogP2.70
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

1-but-2-enoxybutane
CID 543904
1,6-bis(but-2-enoxy)hexane
CID 173425920
1-[(E)-but-2-enoxy]hexadecane
CID 88726636
1-but-2-enoxyoctadecane
CID 123608986
N-ethyl-N,7-dimethyloctan-2-amine
CID 123377571
5-but-2-enoxy-N-propan-2-ylpentan-1-amine
CID 76943498
N-(2-but-2-enoxyethyl)pentan-2-amine
CID 76946862
4-but-2-enoxy-N-(2-methylpropyl)butan-1-amine
CID 76943518
(Z)-N-[(E)-3-butoxyprop-1-enyl]-N-methylbut-2-en-1-amine
CID 126607431
5-[(E)-but-2-enoxy]pent-1-ene
CID 173358116
4-but-2-enoxy-N-methylbutan-1-amine
CID 76943501
1-[(Z)-3-chloroprop-2-enoxy]-4-methylpentane
CID 170444047

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine?
The IUPAC name of 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine (CID 142831052) is 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine.
What is the SMILES notation for 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine?
The canonical SMILES for 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine is C/C=C\COCCCC(C)N(C)CC.
What is the InChIKey of 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine?
The InChIKey is GDTWBFNYEOSUIN-ALCCZGGFSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-10-14-11-8-9-12(3)13(4)6-2/h5,7,12H,6,8-11H2,1-4H3/b7-5-.
What are the key properties of 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine?
5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine has a molecular weight of 199.34 g/mol, XLogP of 2.70, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-but-2-enoxy]-N-ethyl-N-methylpentan-2-amine is sourced from PubChem (CID 142831052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).