4-(ethylamino)butyl prop-2-enoate

C9H17NO2 — CID 54213544

IUPAC4-(ethylamino)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNCC
InChIInChI=1S/C9H17NO2/c1-3-9(11)12-8-6-5-7-10-4-2/h3,10H,1,4-8H2,2H3
InChIKeyPXOSXXFYIDDKEK-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds7

About 4-(ethylamino)butyl prop-2-enoate

4-(ethylamino)butyl prop-2-enoate (PubChem CID 54213544) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-(ethylamino)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(ethylamino)butyl prop-2-enoate
PubChem CID54213544
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-(ethylamino)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNCC
InChIInChI=1S/C9H17NO2/c1-3-9(11)12-8-6-5-7-10-4-2/h3,10H,1,4-8H2,2H3
InChIKeyPXOSXXFYIDDKEK-UHFFFAOYSA-N
XLogP1.11
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(Diethylamino)butylacrylate
CID 21249773
Diethyl(2-prop-2-enoyloxyethyl)azanium
CID 18325577
Trimethyl(4-prop-2-enoyloxybutyl)azanium
CID 9989981
Triethyl(4-prop-2-enoyloxybutyl)azanium
CID 10421323
ethyl (E)-3-(butylamino)prop-2-enoate
CID 13797306
4-(Propanoylamino)butyl prop-2-enoate
CID 17789548
1-(Butan-2-ylamino)ethyl prop-2-enoate
CID 18325504
Butan-1-amine;propyl prop-2-enoate
CID 18325509
Methyl(3-prop-2-enoyloxypropyl)azanium
CID 18325516
3-(Methylamino)propyl prop-2-enoate
CID 18325517
1-(Tert-butylamino)propyl prop-2-enoate
CID 18325536
3-(Propylamino)propyl prop-2-enoate
CID 18325538

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)butyl prop-2-enoate?
The IUPAC name of 4-(ethylamino)butyl prop-2-enoate (CID 54213544) is 4-(ethylamino)butyl prop-2-enoate.
What is the SMILES notation for 4-(ethylamino)butyl prop-2-enoate?
The canonical SMILES for 4-(ethylamino)butyl prop-2-enoate is C=CC(=O)OCCCCNCC.
What is the InChIKey of 4-(ethylamino)butyl prop-2-enoate?
The InChIKey is PXOSXXFYIDDKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-9(11)12-8-6-5-7-10-4-2/h3,10H,1,4-8H2,2H3.
What are the key properties of 4-(ethylamino)butyl prop-2-enoate?
4-(ethylamino)butyl prop-2-enoate has a molecular weight of 171.24 g/mol, XLogP of 1.11, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)butyl prop-2-enoate is sourced from PubChem (CID 54213544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).