N,4-bis(oxiran-2-ylmethyl)aniline

C12H15NO2 — CID 54149800

IUPACN,4-bis(oxiran-2-ylmethyl)aniline
SMILESc1cc(NCC2CO2)ccc1CC1CO1
InChIInChI=1S/C12H15NO2/c1-3-10(13-6-12-8-15-12)4-2-9(1)5-11-7-14-11/h1-4,11-13H,5-8H2
InChIKeyGPZUZWAMFSNLDP-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.44
Rot. Bonds5

About N,4-bis(oxiran-2-ylmethyl)aniline

N,4-bis(oxiran-2-ylmethyl)aniline (PubChem CID 54149800) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N,4-bis(oxiran-2-ylmethyl)aniline.

Molecular Properties

Compound NameN,4-bis(oxiran-2-ylmethyl)aniline
PubChem CID54149800
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN,4-bis(oxiran-2-ylmethyl)aniline
SMILESc1cc(NCC2CO2)ccc1CC1CO1
InChIInChI=1S/C12H15NO2/c1-3-10(13-6-12-8-15-12)4-2-9(1)5-11-7-14-11/h1-4,11-13H,5-8H2
InChIKeyGPZUZWAMFSNLDP-UHFFFAOYSA-N
XLogP1.44
TPSA37.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
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 N,4-bis(oxiran-2-ylmethyl)aniline?
The IUPAC name of N,4-bis(oxiran-2-ylmethyl)aniline (CID 54149800) is N,4-bis(oxiran-2-ylmethyl)aniline.
What is the SMILES notation for N,4-bis(oxiran-2-ylmethyl)aniline?
The canonical SMILES for N,4-bis(oxiran-2-ylmethyl)aniline is c1cc(NCC2CO2)ccc1CC1CO1.
What is the InChIKey of N,4-bis(oxiran-2-ylmethyl)aniline?
The InChIKey is GPZUZWAMFSNLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-3-10(13-6-12-8-15-12)4-2-9(1)5-11-7-14-11/h1-4,11-13H,5-8H2.
What are the key properties of N,4-bis(oxiran-2-ylmethyl)aniline?
N,4-bis(oxiran-2-ylmethyl)aniline has a molecular weight of 205.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-bis(oxiran-2-ylmethyl)aniline is sourced from PubChem (CID 54149800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).