N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine

C17H28N2O — CID 80522394

IUPACN-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCC1(CC)CC(CNCCOC)(c2cccnc2)C1
InChIInChI=1S/C17H28N2O/c1-4-16(5-2)12-17(13-16,14-19-9-10-20-3)15-7-6-8-18-11-15/h6-8,11,19H,4-5,9-10,12-14H2,1-3H3
InChIKeyWMYQCGFBASREFE-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.16
Rot. Bonds8

About N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine

N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine (PubChem CID 80522394) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine
PubChem CID80522394
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine
SMILESCCC1(CC)CC(CNCCOC)(c2cccnc2)C1
InChIInChI=1S/C17H28N2O/c1-4-16(5-2)12-17(13-16,14-19-9-10-20-3)15-7-6-8-18-11-15/h6-8,11,19H,4-5,9-10,12-14H2,1-3H3
InChIKeyWMYQCGFBASREFE-UHFFFAOYSA-N
XLogP3.16
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine?
The IUPAC name of N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine (CID 80522394) is N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine?
The canonical SMILES for N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine is CCC1(CC)CC(CNCCOC)(c2cccnc2)C1.
What is the InChIKey of N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine?
The InChIKey is WMYQCGFBASREFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-4-16(5-2)12-17(13-16,14-19-9-10-20-3)15-7-6-8-18-11-15/h6-8,11,19H,4-5,9-10,12-14H2,1-3H3.
What are the key properties of N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine?
N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.16, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,3-diethyl-1-pyridin-3-ylcyclobutyl)methyl]-2-methoxyethanamine is sourced from PubChem (CID 80522394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).