N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine

C17H25NO — CID 894966

IUPACN-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO/c1-6-8-18(9-7-2)10-11-19-17-15(4)12-14(3)13-16(17)5/h6-7,12-13H,1-2,8-11H2,3-5H3
InChIKeyCNQSYLDRMRPVMA-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.66
Rot. Bonds8

About N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine

N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine (PubChem CID 894966) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine
PubChem CID894966
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine
SMILESC=CCN(CC=C)CCOc1c(C)cc(C)cc1C
InChIInChI=1S/C17H25NO/c1-6-8-18(9-7-2)10-11-19-17-15(4)12-14(3)13-16(17)5/h6-7,12-13H,1-2,8-11H2,3-5H3
InChIKeyCNQSYLDRMRPVMA-UHFFFAOYSA-N
XLogP3.66
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine (CID 894966) is N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine is C=CCN(CC=C)CCOc1c(C)cc(C)cc1C.
What is the InChIKey of N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine?
The InChIKey is CNQSYLDRMRPVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-6-8-18(9-7-2)10-11-19-17-15(4)12-14(3)13-16(17)5/h6-7,12-13H,1-2,8-11H2,3-5H3.
What are the key properties of N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine?
N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine has a molecular weight of 259.39 g/mol, XLogP of 3.66, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 894966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).