3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

C14H28N2O — CID 64852708

IUPAC3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCN(C)C2)C1(C)C
InChIInChI=1S/C14H28N2O/c1-5-17-13-8-12(14(13,2)3)15-9-11-6-7-16(4)10-11/h11-13,15H,5-10H2,1-4H3
InChIKeyQCMCONURUYHJSX-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.73
Rot. Bonds5

About 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine

3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (PubChem CID 64852708) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
PubChem CID64852708
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCC2CCN(C)C2)C1(C)C
InChIInChI=1S/C14H28N2O/c1-5-17-13-8-12(14(13,2)3)15-9-11-6-7-16(4)10-11/h11-13,15H,5-10H2,1-4H3
InChIKeyQCMCONURUYHJSX-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(1R,3R)-N-[[(2S)-4-cyclopropylmorpholin-2-yl]methyl]-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 98891135
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
1-[[(3-ethoxy-2,2-dimethylcyclobutyl)amino]methyl]-4,4-dimethylcyclohexan-1-ol
CID 65117230
N-[(4-ethylcyclohexyl)methyl]-2,2-dimethyl-3-(2-methylpropoxy)cyclobutan-1-amine
CID 64852747
2,2-dimethyl-N-[(4-methylmorpholin-2-yl)methyl]-3-(2-methylpropoxy)cyclobutan-1-amine
CID 79082844
cis-(1S,3R)-3-ethoxy-2,2-dimethyl-N-[(1R)-1-[(2S)-4-methylmorpholin-2-yl]ethyl]cyclobutan-1-amine
CID 124845597
N-(3,3-diethoxypropyl)-3-ethoxy-2,2-dimethylcyclobutan-1-amine
CID 102977010
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1,3-dimethylpiperidin-4-amine
CID 114503243
N-[2,2-dimethyl-3-(2-methylpropoxy)cyclobutyl]-1-methylpyrrolidin-3-amine
CID 64851962
3-ethoxy-N-[(1-ethylcyclopropyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 115906411
3-ethoxy-N-(2-ethylsulfonylethyl)-2,2-dimethylcyclobutan-1-amine
CID 113352099
2-[(3-ethoxy-2,2-dimethylcyclobutyl)amino]-N-ethylacetamide
CID 64850730

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine (CID 64852708) is 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCC2CCN(C)C2)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
The InChIKey is QCMCONURUYHJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-5-17-13-8-12(14(13,2)3)15-9-11-6-7-16(4)10-11/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 64852708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).