N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine

C17H30N2O — CID 102985986

IUPACN-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine
SMILESCCCC(C)Oc1cc(CNCC)cc(C(C)(C)C)n1
InChIInChI=1S/C17H30N2O/c1-7-9-13(3)20-16-11-14(12-18-8-2)10-15(19-16)17(4,5)6/h10-11,13,18H,7-9,12H2,1-6H3
InChIKeyGZFIKCLSOXVKNT-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.06
Rot. Bonds7

About N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine

N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine (PubChem CID 102985986) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine
PubChem CID102985986
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC NameN-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine
SMILESCCCC(C)Oc1cc(CNCC)cc(C(C)(C)C)n1
InChIInChI=1S/C17H30N2O/c1-7-9-13(3)20-16-11-14(12-18-8-2)10-15(19-16)17(4,5)6/h10-11,13,18H,7-9,12H2,1-6H3
InChIKeyGZFIKCLSOXVKNT-UHFFFAOYSA-N
XLogP4.06
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine?
The IUPAC name of N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine (CID 102985986) is N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine is CCCC(C)Oc1cc(CNCC)cc(C(C)(C)C)n1.
What is the InChIKey of N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine?
The InChIKey is GZFIKCLSOXVKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O/c1-7-9-13(3)20-16-11-14(12-18-8-2)10-15(19-16)17(4,5)6/h10-11,13,18H,7-9,12H2,1-6H3.
What are the key properties of N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine?
N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine has a molecular weight of 278.44 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-tert-butyl-6-pentan-2-yloxy-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 102985986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).