[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine

C11H22N2O — CID 115453905

IUPAC[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
SMILESCOCC1CCN(CC2(CN)CC2)C1
InChIInChI=1S/C11H22N2O/c1-14-7-10-2-5-13(6-10)9-11(8-12)3-4-11/h10H,2-9,12H2,1H3
InChIKeyGIBCHJXRSPPCRF-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.69
Rot. Bonds5

About [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine

[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine (PubChem CID 115453905) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
PubChem CID115453905
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine
SMILESCOCC1CCN(CC2(CN)CC2)C1
InChIInChI=1S/C11H22N2O/c1-14-7-10-2-5-13(6-10)9-11(8-12)3-4-11/h10H,2-9,12H2,1H3
InChIKeyGIBCHJXRSPPCRF-UHFFFAOYSA-N
XLogP0.69
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylcyclohexyl]methanamine
CID 106587463
[4-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]oxan-4-yl]methanol
CID 64581388
1-[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentyl]-N-methylmethanamine
CID 64582581
[3-[[3-(methoxymethyl)piperidin-1-yl]methyl]oxan-3-yl]methanamine
CID 106588963
[1-[(3-propylpyrrolidin-1-yl)methyl]cyclohexyl]methanamine
CID 113417909
[1-[[1-(aminomethyl)cycloheptyl]methyl]pyrrolidin-3-yl]methanol
CID 112629002
N-[[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclohexyl]methyl]propan-1-amine
CID 64581384
2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-2-methylpyrrolidine
CID 64597347
1-[[1-(bromomethyl)cyclohexyl]methyl]-3-(methoxymethyl)piperidine
CID 106588374
3-(methoxymethyl)-1-[(3-methylpyrrolidin-3-yl)methyl]pyrrolidine
CID 64596729
[1-[(4-fluoropiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 164659485
[1-[(4-propan-2-ylpiperidin-1-yl)methyl]cyclopropyl]methanamine
CID 103497578

Frequently Asked Questions

What is the IUPAC name of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine?
The IUPAC name of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine (CID 115453905) is [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine?
The canonical SMILES for [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine is COCC1CCN(CC2(CN)CC2)C1.
What is the InChIKey of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine?
The InChIKey is GIBCHJXRSPPCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-14-7-10-2-5-13(6-10)9-11(8-12)3-4-11/h10H,2-9,12H2,1H3.
What are the key properties of [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine?
[1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine has a molecular weight of 198.31 g/mol, XLogP of 0.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopropyl]methanamine is sourced from PubChem (CID 115453905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).