3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine

C11H22N2O — CID 104871157

IUPAC3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCC2CCCN2C)C1
InChIInChI=1S/C11H22N2O/c1-13-5-3-4-10(13)8-12-9-6-11(7-9)14-2/h9-12H,3-8H2,1-2H3
InChIKeyRVLXVZHRNMLTGC-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.85
Rot. Bonds4

About 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine

3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine (PubChem CID 104871157) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
PubChem CID104871157
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
SMILESCOC1CC(NCC2CCCN2C)C1
InChIInChI=1S/C11H22N2O/c1-13-5-3-4-10(13)8-12-9-6-11(7-9)14-2/h9-12H,3-8H2,1-2H3
InChIKeyRVLXVZHRNMLTGC-UHFFFAOYSA-N
XLogP0.85
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 104530001
3,5-dimethyl-N-[(1-methylpiperidin-2-yl)methyl]cyclohexan-1-amine
CID 64752221
1,5-dimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidin-3-amine
CID 115712513
4-[(1-methylpyrrolidin-2-yl)methylamino]cyclohexan-1-ol
CID 58858777
9-methyl-N-[(1-methylpiperidin-2-yl)methyl]-9-azabicyclo[3.3.1]nonan-3-amine
CID 65470274
4-ethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cyclohexan-1-amine
CID 103626242
N-[(1-methylpyrrolidin-2-yl)methyl]oxolan-3-amine
CID 115688929
1-methyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-3-amine
CID 62656973
3-(4-bromophenyl)-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine
CID 107167321
ethyl 4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxylate
CID 103749538
4-[(1-methylpyrrolidin-2-yl)methylamino]piperidine-1-carboxamide
CID 103778909
1-cyclopropyl-N-[(1-methylpiperidin-2-yl)methyl]piperidin-4-amine
CID 62659058

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine (CID 104871157) is 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine is COC1CC(NCC2CCCN2C)C1.
What is the InChIKey of 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is RVLXVZHRNMLTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-13-5-3-4-10(13)8-12-9-6-11(7-9)14-2/h9-12H,3-8H2,1-2H3.
What are the key properties of 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine?
3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[(1-methylpyrrolidin-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 104871157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).