3-(propylamino)propyl 2-methylprop-2-enoate

C10H19NO2 — CID 18325631

IUPAC3-(propylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNCCC
InChIInChI=1S/C10H19NO2/c1-4-6-11-7-5-8-13-10(12)9(2)3/h11H,2,4-8H2,1,3H3
InChIKeySGNDHUWRZNNPEA-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.50
Rot. Bonds7

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

3-(propylamino)propyl 2-methylprop-2-enoate (PubChem CID 18325631) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-(propylamino)propyl 2-methylprop-2-enoate.

Molecular Properties

Compound Name3-(propylamino)propyl 2-methylprop-2-enoate
PubChem CID18325631
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-(propylamino)propyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCCCNCCC
InChIInChI=1S/C10H19NO2/c1-4-6-11-7-5-8-13-10(12)9(2)3/h11H,2,4-8H2,1,3H3
InChIKeySGNDHUWRZNNPEA-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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'}

Analyze 3-(propylamino)propyl 2-methylprop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)propyl 2-methylprop-2-enoate?
The IUPAC name of 3-(propylamino)propyl 2-methylprop-2-enoate (CID 18325631) is 3-(propylamino)propyl 2-methylprop-2-enoate.
What is the SMILES notation for 3-(propylamino)propyl 2-methylprop-2-enoate?
The canonical SMILES for 3-(propylamino)propyl 2-methylprop-2-enoate is C=C(C)C(=O)OCCCNCCC.
What is the InChIKey of 3-(propylamino)propyl 2-methylprop-2-enoate?
The InChIKey is SGNDHUWRZNNPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-6-11-7-5-8-13-10(12)9(2)3/h11H,2,4-8H2,1,3H3.
What are the key properties of 3-(propylamino)propyl 2-methylprop-2-enoate?
3-(propylamino)propyl 2-methylprop-2-enoate has a molecular weight of 185.27 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylamino)propyl 2-methylprop-2-enoate is sourced from PubChem (CID 18325631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).