2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline

C15H21NO2 — CID 57083438

IUPAC2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESCCc1cccc(C)c1N(CC1CO1)CC1CO1
InChIInChI=1S/C15H21NO2/c1-3-12-6-4-5-11(2)15(12)16(7-13-9-17-13)8-14-10-18-14/h4-6,13-14H,3,7-10H2,1-2H3
InChIKeyBFDSTYJTERPGOI-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.16
Rot. Bonds6

About 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline

2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline (PubChem CID 57083438) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline.

Molecular Properties

Compound Name2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline
PubChem CID57083438
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline
SMILESCCc1cccc(C)c1N(CC1CO1)CC1CO1
InChIInChI=1S/C15H21NO2/c1-3-12-6-4-5-11(2)15(12)16(7-13-9-17-13)8-14-10-18-14/h4-6,13-14H,3,7-10H2,1-2H3
InChIKeyBFDSTYJTERPGOI-UHFFFAOYSA-N
XLogP2.16
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline?
The IUPAC name of 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline (CID 57083438) is 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline.
What is the SMILES notation for 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline?
The canonical SMILES for 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline is CCc1cccc(C)c1N(CC1CO1)CC1CO1.
What is the InChIKey of 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline?
The InChIKey is BFDSTYJTERPGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-12-6-4-5-11(2)15(12)16(7-13-9-17-13)8-14-10-18-14/h4-6,13-14H,3,7-10H2,1-2H3.
What are the key properties of 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline?
2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline has a molecular weight of 247.34 g/mol, XLogP of 2.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-methyl-N,N-bis(oxiran-2-ylmethyl)aniline is sourced from PubChem (CID 57083438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).