3-(propylamino)propyl prop-2-enoate

C9H17NO2 — CID 18325538

IUPAC3-(propylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNCCC
InChIInChI=1S/C9H17NO2/c1-3-6-10-7-5-8-12-9(11)4-2/h4,10H,2-3,5-8H2,1H3
InChIKeyYKNIURJYAOAYDC-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.11
Rot. Bonds7

About 3-(propylamino)propyl prop-2-enoate

3-(propylamino)propyl prop-2-enoate (PubChem CID 18325538) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(propylamino)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(propylamino)propyl prop-2-enoate
PubChem CID18325538
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(propylamino)propyl prop-2-enoate
SMILESC=CC(=O)OCCCNCCC
InChIInChI=1S/C9H17NO2/c1-3-6-10-7-5-8-12-9(11)4-2/h4,10H,2-3,5-8H2,1H3
InChIKeyYKNIURJYAOAYDC-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

N-t-Butylaminoethyl acrylate
CID 10130166
N'-(2-aminoethyl)ethane-1,2-diamine;methyl prop-2-enoate
CID 159588312
2-(Ethylamino)ethyl prop-2-enoate
CID 18325602
3-(2,2-Difluoroethylamino)propyl prop-2-enoate
CID 175169617
3-(Dibutylamino)propyl prop-2-enoate
CID 223954
3-Acryloxypropyl tripropylammonium chloride
CID 172640382
ethyl (E)-4-[[(E)-4-ethoxy-4-oxobut-2-enyl]amino]but-2-enoate
CID 10083046
Diethyl(2-prop-2-enoyloxyethyl)azanium
CID 18325577
2-(Pentan-3-ylamino)ethyl prop-2-enoate
CID 3017635
ethyl (E)-3-(butylamino)prop-2-enoate
CID 13797306
3-(Methoxycarbonylamino)propyl prop-2-enoate
CID 15208799
3-(Propanoylamino)propyl prop-2-enoate
CID 15857754

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)propyl prop-2-enoate?
The IUPAC name of 3-(propylamino)propyl prop-2-enoate (CID 18325538) is 3-(propylamino)propyl prop-2-enoate.
What is the SMILES notation for 3-(propylamino)propyl prop-2-enoate?
The canonical SMILES for 3-(propylamino)propyl prop-2-enoate is C=CC(=O)OCCCNCCC.
What is the InChIKey of 3-(propylamino)propyl prop-2-enoate?
The InChIKey is YKNIURJYAOAYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-6-10-7-5-8-12-9(11)4-2/h4,10H,2-3,5-8H2,1H3.
What are the key properties of 3-(propylamino)propyl prop-2-enoate?
3-(propylamino)propyl 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 3-(propylamino)propyl prop-2-enoate is sourced from PubChem (CID 18325538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).