N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine

C12H23NO2 — CID 116870175

IUPACN-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine
SMILESCNCCCC1(C2CCOCC2)COC1
InChIInChI=1S/C12H23NO2/c1-13-6-2-5-12(9-15-10-12)11-3-7-14-8-4-11/h11,13H,2-10H2,1H3
InChIKeyQIGCYNBIKFSXDO-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.43
Rot. Bonds5

About N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine

N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine (PubChem CID 116870175) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine
PubChem CID116870175
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine
SMILESCNCCCC1(C2CCOCC2)COC1
InChIInChI=1S/C12H23NO2/c1-13-6-2-5-12(9-15-10-12)11-3-7-14-8-4-11/h11,13H,2-10H2,1H3
InChIKeyQIGCYNBIKFSXDO-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[3-(oxan-4-yl)oxetan-3-yl]ethyl]piperazine
CID 116873116
N-methyl-2-[(3S)-3-methyloxolan-3-yl]ethanamine
CID 170119117
4-(3-cyclobutyloxetan-3-yl)butanoic acid
CID 116872007
N-methyl-1-[3-(1-methylpiperidin-4-yl)oxetan-3-yl]methanamine
CID 116869324
1-[[3-(oxan-4-yl)oxetan-3-yl]methyl]piperazine
CID 116873103
N-methyl-2-[3-(oxan-4-yl)oxetan-3-yl]propan-2-amine
CID 116872309
N-methyl-2-(oxan-4-ylsulfanyl)ethanamine
CID 62991941
N-[(3-cyclopropyloxolan-3-yl)methyl]ethanamine
CID 104819411
3-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylpropan-1-amine
CID 79924224
3-[2-(methylamino)ethyl]oxolan-3-ol
CID 83904982
[3-(oxan-4-yl)oxetan-3-yl]hydrazine
CID 116876341
3-(oxan-4-yl)oxetane-3-thiol
CID 116872935

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine?
The IUPAC name of N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine (CID 116870175) is N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine.
What is the SMILES notation for N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine?
The canonical SMILES for N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine is CNCCCC1(C2CCOCC2)COC1.
What is the InChIKey of N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine?
The InChIKey is QIGCYNBIKFSXDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-13-6-2-5-12(9-15-10-12)11-3-7-14-8-4-11/h11,13H,2-10H2,1H3.
What are the key properties of N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine?
N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[3-(oxan-4-yl)oxetan-3-yl]propan-1-amine is sourced from PubChem (CID 116870175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).