4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine

C12H24N2O2 — CID 66245194

IUPAC4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCC(COC)C1
InChIInChI=1S/C12H24N2O2/c1-13-12-9-16-8-11(12)6-14-4-3-10(5-14)7-15-2/h10-13H,3-9H2,1-2H3
InChIKeyWBDXFCXBIMOXFL-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.19
Rot. Bonds5

About 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine

4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine (PubChem CID 66245194) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine
PubChem CID66245194
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN1CCC(COC)C1
InChIInChI=1S/C12H24N2O2/c1-13-12-9-16-8-11(12)6-14-4-3-10(5-14)7-15-2/h10-13H,3-9H2,1-2H3
InChIKeyWBDXFCXBIMOXFL-UHFFFAOYSA-N
XLogP0.19
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 ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-ol
CID 103061639
3-(methoxymethyl)-1-(oxiran-2-ylmethyl)pyrrolidine
CID 64569723
4-(azocan-1-ylmethyl)-N-methyloxolan-3-amine
CID 66246956
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-ol
CID 64582386
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexan-1-amine
CID 64582780
4-[(4-cyclopentylpiperazin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66246567
N-methyl-4-[[4-(2-methylpropyl)piperazin-1-yl]methyl]oxolan-3-amine
CID 66246969
4-[(4,4-diethylpiperidin-1-yl)methyl]-N-methyloxolan-3-amine
CID 66245191
4-[(3-methoxypyrrolidin-1-yl)methyl]-N-propyloxolan-3-amine
CID 103534665
N-ethyl-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-4-methylcyclohexan-1-amine
CID 64581779
N-methyl-4-(1,4-thiazepan-4-ylmethyl)oxolan-3-amine
CID 66245775
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine (CID 66245194) is 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine is CNC1COCC1CN1CCC(COC)C1.
What is the InChIKey of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine?
The InChIKey is WBDXFCXBIMOXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-13-12-9-16-8-11(12)6-14-4-3-10(5-14)7-15-2/h10-13H,3-9H2,1-2H3.
What are the key properties of 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine?
4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine has a molecular weight of 228.34 g/mol, XLogP of 0.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66245194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).