3-benzyl-3-methyloxiran-2-amine

C10H13NO — CID 130712281

IUPAC3-benzyl-3-methyloxiran-2-amine
SMILESCC1(Cc2ccccc2)OC1N
InChIInChI=1S/C10H13NO/c1-10(9(11)12-10)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
InChIKeyKQORFXIHYWEDPV-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.30
Rot. Bonds2

About 3-benzyl-3-methyloxiran-2-amine

3-benzyl-3-methyloxiran-2-amine (PubChem CID 130712281) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-benzyl-3-methyloxiran-2-amine.

Molecular Properties

Compound Name3-benzyl-3-methyloxiran-2-amine
PubChem CID130712281
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name3-benzyl-3-methyloxiran-2-amine
SMILESCC1(Cc2ccccc2)OC1N
InChIInChI=1S/C10H13NO/c1-10(9(11)12-10)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3
InChIKeyKQORFXIHYWEDPV-UHFFFAOYSA-N
XLogP1.30
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-methyl-2,4-dioxabicyclo[1.1.0]butane
CID 141419517
2,2-dibenzyl-3,4-dimethyloxetan-3-amine
CID 169032077
2-benzyl-3-ethyloxiran-2-ol
CID 141291266
[(1S,2R)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475475
[(1S,2S)-2-bromo-1-methylcyclopropyl]methylbenzene
CID 125475476
(3R)-3-benzyl-3-methyloxolan-2-one
CID 10261923
2-benzyl-2,6-dimethyloxane-3,4-dione
CID 123758723
2-benzyl-2-(2-benzyloxiran-2-yl)oxirane
CID 174859791
(3S,6R)-7-benzyl-1,3,6-trimethyl-2,4,5,10-tetraoxatricyclo[4.3.1.03,7]decane
CID 57337092
2,4-dibenzyl-2-methylcyclohexa-3,5-diene-1,3-diamine
CID 68859251
(2S,3R,4R,5S,6R)-3-amino-2-benzyl-6-(hydroxymethyl)oxane-2,4,5-triol
CID 140974185
1-benzyl-2,2-dimethylcyclopentan-1-amine
CID 79857228

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-3-methyloxiran-2-amine?
The IUPAC name of 3-benzyl-3-methyloxiran-2-amine (CID 130712281) is 3-benzyl-3-methyloxiran-2-amine.
What is the SMILES notation for 3-benzyl-3-methyloxiran-2-amine?
The canonical SMILES for 3-benzyl-3-methyloxiran-2-amine is CC1(Cc2ccccc2)OC1N.
What is the InChIKey of 3-benzyl-3-methyloxiran-2-amine?
The InChIKey is KQORFXIHYWEDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(9(11)12-10)7-8-5-3-2-4-6-8/h2-6,9H,7,11H2,1H3.
What are the key properties of 3-benzyl-3-methyloxiran-2-amine?
3-benzyl-3-methyloxiran-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-3-methyloxiran-2-amine is sourced from PubChem (CID 130712281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).