N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine

C12H24N2O2 — CID 115300577

IUPACN-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCOC2CCCCO2)C1
InChIInChI=1S/C12H24N2O2/c1-13-11-5-6-14(10-11)7-9-16-12-4-2-3-8-15-12/h11-13H,2-10H2,1H3
InChIKeyDUSPCAODVLEKAR-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.82
Rot. Bonds5

About N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine

N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine (PubChem CID 115300577) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
PubChem CID115300577
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine
SMILESCNC1CCN(CCOC2CCCCO2)C1
InChIInChI=1S/C12H24N2O2/c1-13-11-5-6-14(10-11)7-9-16-12-4-2-3-8-15-12/h11-13H,2-10H2,1H3
InChIKeyDUSPCAODVLEKAR-UHFFFAOYSA-N
XLogP0.82
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-yl]ethanol
CID 114799729
2-[4-[2-(oxan-2-yloxy)ethyl]-1,4-diazepan-1-yl]ethanol
CID 63312916
2-(6-methylheptoxy)oxane
CID 139685112
3-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-ol
CID 103358054
[(3R)-3-methyl-1-[2-[(2S)-oxan-2-yl]oxyethyl]pyrrolidin-3-yl]methanol
CID 124863525
N-methyl-1-(2-propoxyethyl)pyrrolidin-3-amine
CID 106455097
1-(2-cyclohexyloxyethyl)-N-methylpiperidin-4-amine
CID 63827361
2-[5-[5-(oxan-2-yloxy)pentoxy]pentoxy]oxane
CID 155771365
2-octacosoxyoxane
CID 11214102
2,2-dimethoxy-1-[4-[2-[(2R)-oxan-2-yl]oxyethyl]piperazin-1-yl]ethanone
CID 164633078
4-[(2-fluorophenyl)methoxy]-1-[2-[(2R)-oxan-2-yl]oxyethyl]piperidine
CID 100668376
2-(4,4-dimethylpentoxy)oxane
CID 59628221

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine?
The IUPAC name of N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine (CID 115300577) is N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine.
What is the SMILES notation for N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine?
The canonical SMILES for N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine is CNC1CCN(CCOC2CCCCO2)C1.
What is the InChIKey of N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine?
The InChIKey is DUSPCAODVLEKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13-11-5-6-14(10-11)7-9-16-12-4-2-3-8-15-12/h11-13H,2-10H2,1H3.
What are the key properties of N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine?
N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine has a molecular weight of 228.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[2-(oxan-2-yloxy)ethyl]pyrrolidin-3-amine is sourced from PubChem (CID 115300577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).