N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine

C14H22N2O — CID 62287173

IUPACN-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1OC1CCC1
InChIInChI=1S/C14H22N2O/c1-4-15-9-13-10(2)8-11(3)16-14(13)17-12-6-5-7-12/h8,12,15H,4-7,9H2,1-3H3
InChIKeyPULHSIBHXGFBJJ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.74
Rot. Bonds5

About N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine

N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine (PubChem CID 62287173) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
PubChem CID62287173
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC NameN-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine
SMILESCCNCc1c(C)cc(C)nc1OC1CCC1
InChIInChI=1S/C14H22N2O/c1-4-15-9-13-10(2)8-11(3)16-14(13)17-12-6-5-7-12/h8,12,15H,4-7,9H2,1-3H3
InChIKeyPULHSIBHXGFBJJ-UHFFFAOYSA-N
XLogP2.74
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine (CID 62287173) is N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine is CCNCc1c(C)cc(C)nc1OC1CCC1.
What is the InChIKey of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
The InChIKey is PULHSIBHXGFBJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-4-15-9-13-10(2)8-11(3)16-14(13)17-12-6-5-7-12/h8,12,15H,4-7,9H2,1-3H3.
What are the key properties of N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine?
N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine has a molecular weight of 234.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclobutyloxy-4,6-dimethyl-3-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 62287173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).