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

C14H24N2O — CID 113239738

IUPAC3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cccn2C)C1(C)C
InChIInChI=1S/C14H24N2O/c1-5-17-13-9-12(14(13,2)3)15-10-11-7-6-8-16(11)4/h6-8,12-13,15H,5,9-10H2,1-4H3
InChIKeyGBHKNJWNUMSOCV-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.32
Rot. Bonds5

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

3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine (PubChem CID 113239738) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine
PubChem CID113239738
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2cccn2C)C1(C)C
InChIInChI=1S/C14H24N2O/c1-5-17-13-9-12(14(13,2)3)15-10-11-7-6-8-16(11)4/h6-8,12-13,15H,5,9-10H2,1-4H3
InChIKeyGBHKNJWNUMSOCV-UHFFFAOYSA-N
XLogP2.32
TPSA26.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-2,2-dimethyl-N-(naphthalen-1-ylmethyl)cyclobutan-1-amine
CID 64852908
3-ethoxy-N-[(4-methoxyphenyl)methyl]-2,2-dimethylcyclobutan-1-amine
CID 64687156
cis-(1S,3R)-3-ethoxy-2,2-dimethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclobutan-1-ol
CID 99826718
1-(3-ethoxyspiro[3.4]octan-1-yl)-2-methyl-3-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119155597
3-ethoxy-2,2-dimethyl-N-[(4-propan-2-ylphenyl)methyl]cyclobutan-1-amine
CID 64850958
3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
CID 64852721
cis-(1R,3S)-3-ethoxy-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 95241171
3-ethoxy-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2,2-dimethylcyclobutan-1-amine
CID 103921091
2,2-dimethyl-3-(2-methylpropoxy)-N-[(2-methylpyrazol-3-yl)methyl]cyclobutan-1-amine
CID 64852561
N-(3-ethoxy-2,2-dimethylcyclobutyl)-3-pyrrol-1-ylaniline
CID 64852701
3-ethoxy-2,2-dimethyl-N-[2-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 79763220
3-ethoxy-2,2-dimethyl-N-(2-phenylprop-2-enyl)cyclobutan-1-amine
CID 103921124

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine (CID 113239738) is 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2cccn2C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine?
The InChIKey is GBHKNJWNUMSOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-17-13-9-12(14(13,2)3)15-10-11-7-6-8-16(11)4/h6-8,12-13,15H,5,9-10H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]cyclobutan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.32, 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-methylpyrrol-2-yl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 113239738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).