4-(propylamino)butyl prop-2-enoate

C10H19NO2 — CID 54434407

IUPAC4-(propylamino)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNCCC
InChIInChI=1S/C10H19NO2/c1-3-7-11-8-5-6-9-13-10(12)4-2/h4,11H,2-3,5-9H2,1H3
InChIKeyWJSSFXBDZLQXSH-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds8

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

4-(propylamino)butyl prop-2-enoate (PubChem CID 54434407) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-(propylamino)butyl prop-2-enoate.

Molecular Properties

Compound Name4-(propylamino)butyl prop-2-enoate
PubChem CID54434407
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-(propylamino)butyl prop-2-enoate
SMILESC=CC(=O)OCCCCNCCC
InChIInChI=1S/C10H19NO2/c1-3-7-11-8-5-6-9-13-10(12)4-2/h4,11H,2-3,5-9H2,1H3
InChIKeyWJSSFXBDZLQXSH-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.50
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-(propylamino)butyl prop-2-enoate?
The IUPAC name of 4-(propylamino)butyl prop-2-enoate (CID 54434407) is 4-(propylamino)butyl prop-2-enoate.
What is the SMILES notation for 4-(propylamino)butyl prop-2-enoate?
The canonical SMILES for 4-(propylamino)butyl prop-2-enoate is C=CC(=O)OCCCCNCCC.
What is the InChIKey of 4-(propylamino)butyl prop-2-enoate?
The InChIKey is WJSSFXBDZLQXSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-7-11-8-5-6-9-13-10(12)4-2/h4,11H,2-3,5-9H2,1H3.
What are the key properties of 4-(propylamino)butyl prop-2-enoate?
4-(propylamino)butyl prop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)butyl prop-2-enoate is sourced from PubChem (CID 54434407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).