N-(3-methyloxiran-2-yl)azetidin-3-amine

C6H12N2O — CID 166876643

IUPACN-(3-methyloxiran-2-yl)azetidin-3-amine
SMILESCC1OC1NC1CNC1
InChIInChI=1S/C6H12N2O/c1-4-6(9-4)8-5-2-7-3-5/h4-8H,2-3H2,1H3
InChIKeyDCAYMCJXRIKCEQ-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.71
Rot. Bonds2

About N-(3-methyloxiran-2-yl)azetidin-3-amine

N-(3-methyloxiran-2-yl)azetidin-3-amine (PubChem CID 166876643) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is N-(3-methyloxiran-2-yl)azetidin-3-amine.

Molecular Properties

Compound NameN-(3-methyloxiran-2-yl)azetidin-3-amine
PubChem CID166876643
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC NameN-(3-methyloxiran-2-yl)azetidin-3-amine
SMILESCC1OC1NC1CNC1
InChIInChI=1S/C6H12N2O/c1-4-6(9-4)8-5-2-7-3-5/h4-8H,2-3H2,1H3
InChIKeyDCAYMCJXRIKCEQ-UHFFFAOYSA-N
XLogP-0.71
TPSA36.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methylazetidin-3-amine;hydrochloride
CID 53313443
3-N,5-N-dimethylpiperidine-3,5-diamine
CID 143020328
(5S)-6-(3-methyloxiran-2-yl)-3,6-diazabicyclo[3.1.1]heptane
CID 146275623
(3S,4R)-4-(azetidin-3-ylamino)oxolan-3-ol
CID 126846702
4-(azetidin-3-ylamino)oxolan-3-ol
CID 126856880
N-(azetidin-3-yl)-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 130679247
N-(2-methyloxolan-3-yl)pyrrolidin-3-amine
CID 82726454
1-(azetidin-3-yl)-2-methylhydrazine
CID 146386405
(3R)-N-[3-[(2-methylpropan-2-yl)oxy]oxiran-2-yl]piperidin-3-amine
CID 146364052
2,6-dimethylmorpholine;propane
CID 143985013
ethane;3-methylazetidine
CID 90730870
(3R,4R)-N-cyclopropyl-4-methylpyrrolidin-3-amine
CID 68976248

Frequently Asked Questions

What is the IUPAC name of N-(3-methyloxiran-2-yl)azetidin-3-amine?
The IUPAC name of N-(3-methyloxiran-2-yl)azetidin-3-amine (CID 166876643) is N-(3-methyloxiran-2-yl)azetidin-3-amine.
What is the SMILES notation for N-(3-methyloxiran-2-yl)azetidin-3-amine?
The canonical SMILES for N-(3-methyloxiran-2-yl)azetidin-3-amine is CC1OC1NC1CNC1.
What is the InChIKey of N-(3-methyloxiran-2-yl)azetidin-3-amine?
The InChIKey is DCAYMCJXRIKCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-6(9-4)8-5-2-7-3-5/h4-8H,2-3H2,1H3.
What are the key properties of N-(3-methyloxiran-2-yl)azetidin-3-amine?
N-(3-methyloxiran-2-yl)azetidin-3-amine has a molecular weight of 128.17 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methyloxiran-2-yl)azetidin-3-amine is sourced from PubChem (CID 166876643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).