3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine

C16H26N2O — CID 65167752

IUPAC3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cccnc2)C1(C)CC
InChIInChI=1S/C16H26N2O/c1-5-16(4)14(10-15(16)19-6-2)18-12(3)13-8-7-9-17-11-13/h7-9,11-12,14-15,18H,5-6,10H2,1-4H3
InChIKeyFQCDORXYUJEVNP-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.33
Rot. Bonds6

About 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine

3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine (PubChem CID 65167752) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
PubChem CID65167752
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2cccnc2)C1(C)CC
InChIInChI=1S/C16H26N2O/c1-5-16(4)14(10-15(16)19-6-2)18-12(3)13-8-7-9-17-11-13/h7-9,11-12,14-15,18H,5-6,10H2,1-4H3
InChIKeyFQCDORXYUJEVNP-UHFFFAOYSA-N
XLogP3.33
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethoxy-2-ethyl-2-methyl-N-(1-phenylethyl)cyclobutan-1-amine
CID 65170112
N-[(1S)-1-(3-bromophenyl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 81382778
3-ethoxy-2-ethyl-N-[1-(4-fluorophenyl)ethyl]-2-methylcyclobutan-1-amine
CID 65167987
3-ethoxy-2-ethyl-2-methyl-N-[1-(1,3-thiazol-2-yl)ethyl]cyclobutan-1-amine
CID 65169719
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-4-ylethyl]cyclobutan-1-amine
CID 81406092
2,2-dimethyl-3-[[(1S)-1-pyridin-3-ylethyl]amino]cyclobutan-1-ol
CID 103948496
3-ethoxy-N-[(1S)-1-pyridin-4-ylethyl]spiro[3.3]heptan-1-amine
CID 81406128
N-[(1S)-1-pyridin-3-ylethyl]cyclopropanamine
CID 26385082
3-ethoxy-2-ethyl-2-methyl-N-(2-methylpentan-3-yl)cyclobutan-1-amine
CID 65168173
N-[1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)ethyl]-3-ethoxy-2-ethyl-2-methylcyclobutan-1-amine
CID 65168112
2-[(3-ethoxy-2-ethyl-2-methylcyclobutyl)amino]propane-1,3-diol
CID 65315597
2-N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 65167586

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine (CID 65167752) is 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine is CCOC1CC(NC(C)c2cccnc2)C1(C)CC.
What is the InChIKey of 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
The InChIKey is FQCDORXYUJEVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-16(4)14(10-15(16)19-6-2)18-12(3)13-8-7-9-17-11-13/h7-9,11-12,14-15,18H,5-6,10H2,1-4H3.
What are the key properties of 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine?
3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine has a molecular weight of 262.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-2-ethyl-2-methyl-N-(1-pyridin-3-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 65167752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).