N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine

C12H23NO2 — CID 116872309

IUPACN-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine
SMILESCNC(C)(C)C1(C2CCOCC2)COC1
InChIInChI=1S/C12H23NO2/c1-11(2,13-3)12(8-15-9-12)10-4-6-14-7-5-10/h10,13H,4-9H2,1-3H3
InChIKeyGRSVSKCMMRTBJG-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.43
Rot. Bonds3

About N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine

N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine (PubChem CID 116872309) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine.

Molecular Properties

Compound NameN-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine
PubChem CID116872309
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine
SMILESCNC(C)(C)C1(C2CCOCC2)COC1
InChIInChI=1S/C12H23NO2/c1-11(2,13-3)12(8-15-9-12)10-4-6-14-7-5-10/h10,13H,4-9H2,1-3H3
InChIKeyGRSVSKCMMRTBJG-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-2-[3-(oxan-4-yl)oxetan-3-yl]acetic acid
CID 116875690
[3-(oxan-4-yl)oxetan-3-yl]hydrazine
CID 116876341
3-(oxan-4-yl)oxetane-3-thiol
CID 116872935
N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine
CID 116870175
3-tert-butyl-3-cyclohexyloxane
CID 177073542
N,2-dimethyl-4-(oxan-4-yl)butan-2-amine
CID 84660262
3-methyl-3-(oxan-4-yl)butan-2-one
CID 58834303
3-[methylamino(oxan-4-yl)methyl]oxetane-3-carboxylic acid
CID 116959388
2-methyl-2-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]propan-1-amine
CID 116869961
2-(oxan-4-yl)propane-2-sulfonamide
CID 70819579
methyl 2-methyl-2-[3-(1-methylpyrrolidin-3-yl)oxetan-3-yl]propanoate
CID 116873622
1,2,4-trimethyl-2-(oxan-4-yl)piperazine
CID 116856567

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine?
The IUPAC name of N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine (CID 116872309) is N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine.
What is the SMILES notation for N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine?
The canonical SMILES for N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine is CNC(C)(C)C1(C2CCOCC2)COC1.
What is the InChIKey of N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine?
The InChIKey is GRSVSKCMMRTBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-11(2,13-3)12(8-15-9-12)10-4-6-14-7-5-10/h10,13H,4-9H2,1-3H3.
What are the key properties of N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine?
N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine has a molecular weight of 213.32 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine is sourced from PubChem (CID 116872309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).