N-ethylethanamine;propyl prop-2-enoate

C10H21NO2 — CID 87503742

IUPACN-ethylethanamine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CCNCC
InChIInChI=1S/C6H10O2.C4H11N/c1-3-5-8-6(7)4-2;1-3-5-4-2/h4H,2-3,5H2,1H3;5H,3-4H2,1-2H3
InChIKeyVCENGNZCQIPJIK-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.74
Rot. Bonds5

About N-ethylethanamine;propyl prop-2-enoate

N-ethylethanamine;propyl prop-2-enoate (PubChem CID 87503742) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is N-ethylethanamine;propyl prop-2-enoate.

Molecular Properties

Compound NameN-ethylethanamine;propyl prop-2-enoate
PubChem CID87503742
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC NameN-ethylethanamine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CCNCC
InChIInChI=1S/C6H10O2.C4H11N/c1-3-5-8-6(7)4-2;1-3-5-4-2/h4H,2-3,5H2,1H3;5H,3-4H2,1-2H3
InChIKeyVCENGNZCQIPJIK-UHFFFAOYSA-N
XLogP1.74
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;propyl prop-2-enoate?
The IUPAC name of N-ethylethanamine;propyl prop-2-enoate (CID 87503742) is N-ethylethanamine;propyl prop-2-enoate.
What is the SMILES notation for N-ethylethanamine;propyl prop-2-enoate?
The canonical SMILES for N-ethylethanamine;propyl prop-2-enoate is C=CC(=O)OCCC.CCNCC.
What is the InChIKey of N-ethylethanamine;propyl prop-2-enoate?
The InChIKey is VCENGNZCQIPJIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C4H11N/c1-3-5-8-6(7)4-2;1-3-5-4-2/h4H,2-3,5H2,1H3;5H,3-4H2,1-2H3.
What are the key properties of N-ethylethanamine;propyl prop-2-enoate?
N-ethylethanamine;propyl prop-2-enoate has a molecular weight of 187.28 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;propyl prop-2-enoate is sourced from PubChem (CID 87503742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).