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

C12H15NO2 — CID 16412

IUPACN,N-bis(oxiran-2-ylmethyl)aniline
SMILESc1ccc(N(CC2CO2)CC2CO2)cc1
InChIInChI=1S/C12H15NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h1-5,11-12H,6-9H2
InChIKeyJAYXSROKFZAHRQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.29
Rot. Bonds5

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

N,N-bis(oxiran-2-ylmethyl)aniline (PubChem CID 16412) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is N,N-bis(oxiran-2-ylmethyl)aniline.

Molecular Properties

Compound NameN,N-bis(oxiran-2-ylmethyl)aniline
PubChem CID16412
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC NameN,N-bis(oxiran-2-ylmethyl)aniline
SMILESc1ccc(N(CC2CO2)CC2CO2)cc1
InChIInChI=1S/C12H15NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h1-5,11-12H,6-9H2
InChIKeyJAYXSROKFZAHRQ-UHFFFAOYSA-N
XLogP1.29
TPSA28.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.29
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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Related Compounds

1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)benzene-1,3-diamine
CID 22572414
N-methyl-N-[[(2R)-oxiran-2-yl]methyl]aniline
CID 38989172
4-[[4-[bis[[(2R)-oxiran-2-yl]methyl]amino]phenyl]methyl]-N,N-bis[[(2R)-oxiran-2-yl]methyl]aniline
CID 91826920
4-[[4-[bis[[(2S)-oxiran-2-yl]methyl]amino]phenyl]methyl]-N-[[(2R)-oxiran-2-yl]methyl]-N-[[(2S)-oxiran-2-yl]methyl]aniline
CID 91826921
3-[[3-[bis(oxiran-2-ylmethyl)amino]phenyl]-phenylphosphoryl]-N,N-bis(oxiran-2-ylmethyl)aniline
CID 166039056
3-[4-[bis(oxiran-2-ylmethyl)amino]phenoxy]-N,N-bis(oxiran-2-ylmethyl)aniline
CID 53389713
2-[[4-[bis(oxiran-2-ylmethyl)amino]phenyl]methyl]-N,N-bis(oxiran-2-ylmethyl)aniline
CID 139782837
N-(cyclopropylmethyl)-N-(oxiran-2-ylmethyl)-3-phenoxyaniline
CID 58150732
2,3,4,5,6-pentachloro-N-(oxiran-2-ylmethyl)-N-phenylaniline
CID 88779627
1-N,1-N,3-N,3-N-tetrakis(oxiran-2-ylmethyl)-4-phenylsulfanyloxysulfanylbenzene-1,3-diamine
CID 121331515
N,N-bis(oxiran-2-ylmethyl)-1,1,1-triphenylmethanamine
CID 141216576
4-(4-tert-butylphenoxy)-N,N-bis(oxiran-2-ylmethyl)aniline
CID 87125302

Frequently Asked Questions

What is the IUPAC name of N,N-bis(oxiran-2-ylmethyl)aniline?
The IUPAC name of N,N-bis(oxiran-2-ylmethyl)aniline (CID 16412) is N,N-bis(oxiran-2-ylmethyl)aniline.
What is the SMILES notation for N,N-bis(oxiran-2-ylmethyl)aniline?
The canonical SMILES for N,N-bis(oxiran-2-ylmethyl)aniline is c1ccc(N(CC2CO2)CC2CO2)cc1.
What is the InChIKey of N,N-bis(oxiran-2-ylmethyl)aniline?
The InChIKey is JAYXSROKFZAHRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-2-4-10(5-3-1)13(6-11-8-14-11)7-12-9-15-12/h1-5,11-12H,6-9H2.
What are the key properties of N,N-bis(oxiran-2-ylmethyl)aniline?
N,N-bis(oxiran-2-ylmethyl)aniline has a molecular weight of 205.26 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(oxiran-2-ylmethyl)aniline is sourced from PubChem (CID 16412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).