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

C13H20N2O — CID 112554444

IUPAC3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccccn2)C1
InChIInChI=1S/C13H20N2O/c1-3-16-12-8-11(9-12)15-10(2)13-6-4-5-7-14-13/h4-7,10-12,15H,3,8-9H2,1-2H3
InChIKeyVNTNLIBIJQGQHZ-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.30
Rot. Bonds5

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

3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine (PubChem CID 112554444) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
PubChem CID112554444
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine
SMILESCCOC1CC(NC(C)c2ccccn2)C1
InChIInChI=1S/C13H20N2O/c1-3-16-12-8-11(9-12)15-10(2)13-6-4-5-7-14-13/h4-7,10-12,15H,3,8-9H2,1-2H3
InChIKeyVNTNLIBIJQGQHZ-UHFFFAOYSA-N
XLogP2.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dimethyl-N-(1-pyridin-2-ylethyl)cyclohexan-1-amine
CID 64723808
3-methoxy-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401608
3-ethoxy-2,2-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclobutan-1-amine
CID 81401968
N-[(1S)-1-pyridin-2-ylethyl]cyclododecanamine
CID 29052683
N-[(1S)-1-pyridin-2-ylethyl]cycloheptanamine
CID 28647798
N-(1-pyridin-2-ylethyl)cyclooctanamine
CID 43178142
3-ethoxy-N-[(1S)-1-(2-methylphenyl)ethyl]cyclobutan-1-amine
CID 113365044
3-methyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81402334
3,4-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81401419
3,4-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]cyclohexan-1-amine
CID 81399472
N-[1-(3,5-dimethylphenyl)ethyl]-3-ethoxycyclobutan-1-amine
CID 103917481
N-[(1S)-1-pyridin-2-ylethyl]piperidin-4-amine
CID 81401330

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine (CID 112554444) is 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine is CCOC1CC(NC(C)c2ccccn2)C1.
What is the InChIKey of 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
The InChIKey is VNTNLIBIJQGQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-3-16-12-8-11(9-12)15-10(2)13-6-4-5-7-14-13/h4-7,10-12,15H,3,8-9H2,1-2H3.
What are the key properties of 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine?
3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine has a molecular weight of 220.32 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-(1-pyridin-2-ylethyl)cyclobutan-1-amine is sourced from PubChem (CID 112554444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).