N-methylethanamine;propyl prop-2-enoate

C9H19NO2 — CID 18325558

IUPACN-methylethanamine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CCNC
InChIInChI=1S/C6H10O2.C3H9N/c1-3-5-8-6(7)4-2;1-3-4-2/h4H,2-3,5H2,1H3;4H,3H2,1-2H3
InChIKeyHMTQZKDHSYWEFM-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.35
Rot. Bonds4

About N-methylethanamine;propyl prop-2-enoate

N-methylethanamine;propyl prop-2-enoate (PubChem CID 18325558) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is N-methylethanamine;propyl prop-2-enoate.

Molecular Properties

Compound NameN-methylethanamine;propyl prop-2-enoate
PubChem CID18325558
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC NameN-methylethanamine;propyl prop-2-enoate
SMILESC=CC(=O)OCCC.CCNC
InChIInChI=1S/C6H10O2.C3H9N/c1-3-5-8-6(7)4-2;1-3-4-2/h4H,2-3,5H2,1H3;4H,3H2,1-2H3
InChIKeyHMTQZKDHSYWEFM-UHFFFAOYSA-N
XLogP1.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.35
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-methylethanamine;propyl prop-2-enoate?
The IUPAC name of N-methylethanamine;propyl prop-2-enoate (CID 18325558) is N-methylethanamine;propyl prop-2-enoate.
What is the SMILES notation for N-methylethanamine;propyl prop-2-enoate?
The canonical SMILES for N-methylethanamine;propyl prop-2-enoate is C=CC(=O)OCCC.CCNC.
What is the InChIKey of N-methylethanamine;propyl prop-2-enoate?
The InChIKey is HMTQZKDHSYWEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2.C3H9N/c1-3-5-8-6(7)4-2;1-3-4-2/h4H,2-3,5H2,1H3;4H,3H2,1-2H3.
What are the key properties of N-methylethanamine;propyl prop-2-enoate?
N-methylethanamine;propyl prop-2-enoate has a molecular weight of 173.26 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;propyl prop-2-enoate is sourced from PubChem (CID 18325558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).