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

C15H24N2O — CID 64852721

IUPAC3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ncccc2C)C1(C)C
InChIInChI=1S/C15H24N2O/c1-5-18-14-9-13(15(14,3)4)17-10-12-11(2)7-6-8-16-12/h6-8,13-14,17H,5,9-10H2,1-4H3
InChIKeyQRNDBZZJYGMXAS-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.68
Rot. Bonds5

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

3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (PubChem CID 64852721) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
PubChem CID64852721
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine
SMILESCCOC1CC(NCc2ncccc2C)C1(C)C
InChIInChI=1S/C15H24N2O/c1-5-18-14-9-13(15(14,3)4)17-10-12-11(2)7-6-8-16-12/h6-8,13-14,17H,5,9-10H2,1-4H3
InChIKeyQRNDBZZJYGMXAS-UHFFFAOYSA-N
XLogP2.68
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The IUPAC name of 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine (CID 64852721) is 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine.
What is the SMILES notation for 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The canonical SMILES for 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is CCOC1CC(NCc2ncccc2C)C1(C)C.
What is the InChIKey of 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
The InChIKey is QRNDBZZJYGMXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-5-18-14-9-13(15(14,3)4)17-10-12-11(2)7-6-8-16-12/h6-8,13-14,17H,5,9-10H2,1-4H3.
What are the key properties of 3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine?
3-ethoxy-2,2-dimethyl-N-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine has a molecular weight of 248.37 g/mol, XLogP of 2.68, 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-[(3-methyl-2-pyridinyl)methyl]cyclobutan-1-amine is sourced from PubChem (CID 64852721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).