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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Related Compounds

1-[2-tert-butyl-6-(1-ethoxypropan-2-yloxy)-4-pyridinyl]-N-methylmethanamine
CID 103490442
2-methyl-N-[(2-pentan-2-yloxy-6-propan-2-yl-4-pyridinyl)methyl]propan-2-amine
CID 102985983
N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine
CID 106205435
N-[(6-pentan-2-yloxy-3-pyridinyl)methyl]ethanamine
CID 102985726
N-[[2-(1-ethoxypropan-2-yloxy)-6-methyl-4-pyridinyl]methyl]ethanamine
CID 103490337
[2-tert-butyl-6-(3-methylbutan-2-yloxy)-4-pyridinyl]methanamine
CID 113381656
N-[(2-butan-2-yloxy-6-methyl-4-pyridinyl)methyl]propan-1-amine
CID 113379516
N-methyl-4-pentan-2-yloxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 102989343
6-pentan-2-yloxy-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102989406
6-pentan-2-yloxypyrimidine-2,4-diamine
CID 102989471
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
6-tert-butyl-4-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 113381451

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).