2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine

C9H19NO — CID 130440854

IUPAC2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine
SMILESCC1NC1(C)COC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7-9(5,10-7)6-11-8(2,3)4/h7,10H,6H2,1-5H3
InChIKeyFOQGJNYTVJHSIV-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.55
Rot. Bonds2

About 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine

2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine (PubChem CID 130440854) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine.

Molecular Properties

Compound Name2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine
PubChem CID130440854
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine
SMILESCC1NC1(C)COC(C)(C)C
InChIInChI=1S/C9H19NO/c1-7-9(5,10-7)6-11-8(2,3)4/h7,10H,6H2,1-5H3
InChIKeyFOQGJNYTVJHSIV-UHFFFAOYSA-N
XLogP1.55
TPSA31.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.55
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

2,3-dimethyl-2-propylaziridine
CID 123992321
(4R)-1,2,4-trimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 147300512
1,1,2,2-tetramethyl-3-[(2-methylpropan-2-yl)oxymethyl]cyclopropane
CID 126576854
(3R)-2,2,3-trimethylaziridine
CID 55287043
1-methyl-3,3-bis[(2-methylpropan-2-yl)oxymethyl]azetidine
CID 167387398
1-[(2-methylpropan-2-yl)oxymethyl]cyclobutan-1-amine
CID 130564464
4-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperidine
CID 59691701
1-[1-[(2-methylpropan-2-yl)oxymethyl]cyclopentyl]pyrrolidine
CID 155794097
5-ethyl-2,5-dimethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethyl]piperazine
CID 112592085
1-ethyl-4-methyl-4-[(2-methylpropan-2-yl)oxymethyl]piperidine
CID 58364990
3-methyl-3-[(2-methylpropan-2-yl)oxymethyl]oxane
CID 171453937
1-methyl-1-[(2-methylpropan-2-yl)oxymethyl]-3-[2-methyl-2-(2,2,2-trifluoroethoxy)propyl]cyclobutane
CID 167289184

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine?
The IUPAC name of 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine (CID 130440854) is 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine.
What is the SMILES notation for 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine?
The canonical SMILES for 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine is CC1NC1(C)COC(C)(C)C.
What is the InChIKey of 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine?
The InChIKey is FOQGJNYTVJHSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-7-9(5,10-7)6-11-8(2,3)4/h7,10H,6H2,1-5H3.
What are the key properties of 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine?
2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine has a molecular weight of 157.26 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]aziridine is sourced from PubChem (CID 130440854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).