[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine

C12H24N2O — CID 103562954

IUPAC[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
SMILESCOCC1CCN(C2(CN)CC(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-10-5-12(6-10,9-13)14-4-3-11(7-14)8-15-2/h10-11H,3-9,13H2,1-2H3
InChIKeyDKQSTBCZMRFRSR-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.08
Rot. Bonds4

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

[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine (PubChem CID 103562954) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
PubChem CID103562954
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine
SMILESCOCC1CCN(C2(CN)CC(C)C2)C1
InChIInChI=1S/C12H24N2O/c1-10-5-12(6-10,9-13)14-4-3-11(7-14)8-15-2/h10-11H,3-9,13H2,1-2H3
InChIKeyDKQSTBCZMRFRSR-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[3-(methoxymethyl)pyrrolidin-1-yl]cyclohexyl]methanamine
CID 64569292
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-(2-methylpropyl)cyclohexyl]methanamine
CID 107429059
[4-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-4-yl]methanamine
CID 64568494
[1-(3-tert-butylpyrrolidin-1-yl)-3-methylcyclobutyl]methanamine
CID 103563130
[3-[4-(methoxymethyl)piperidin-1-yl]-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]methanamine
CID 63971308
[3-[3-(methoxymethyl)pyrrolidin-1-yl]-1,1-dioxothian-3-yl]methanamine
CID 64571099
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[1-(aminomethyl)-3-methylcyclobutyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 80598306
[8-[4-(methoxymethyl)piperidin-1-yl]spiro[4.5]decan-8-yl]methanamine
CID 114818158
[3-methyl-1-(4-propylazepan-1-yl)cyclobutyl]methanamine
CID 103562947
[1-[3-(methoxymethyl)piperidin-1-yl]-3,3-dimethylcyclohexyl]methanamine
CID 106586385

Frequently Asked Questions

What is the IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine?
The IUPAC name of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine (CID 103562954) is [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine?
The canonical SMILES for [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine is COCC1CCN(C2(CN)CC(C)C2)C1.
What is the InChIKey of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine?
The InChIKey is DKQSTBCZMRFRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10-5-12(6-10,9-13)14-4-3-11(7-14)8-15-2/h10-11H,3-9,13H2,1-2H3.
What are the key properties of [1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine?
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-3-methylcyclobutyl]methanamine has a molecular weight of 212.34 g/mol, XLogP of 1.08, 4 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]-3-methylcyclobutyl]methanamine is sourced from PubChem (CID 103562954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).