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

C17H28N2O — CID 106205435

IUPACN-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OCCC2CC2)nc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O/c1-5-18-12-14-10-15(17(2,3)4)19-16(11-14)20-9-8-13-6-7-13/h10-11,13,18H,5-9,12H2,1-4H3
InChIKeyNNRQDKQQYTXKTP-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.67
Rot. Bonds7

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

N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 106205435) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID106205435
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC NameN-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(OCCC2CC2)nc(C(C)(C)C)c1
InChIInChI=1S/C17H28N2O/c1-5-18-12-14-10-15(17(2,3)4)19-16(11-14)20-9-8-13-6-7-13/h10-11,13,18H,5-9,12H2,1-4H3
InChIKeyNNRQDKQQYTXKTP-UHFFFAOYSA-N
XLogP3.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.67
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-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine (CID 106205435) is N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(OCCC2CC2)nc(C(C)(C)C)c1.
What is the InChIKey of N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is NNRQDKQQYTXKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-18-12-14-10-15(17(2,3)4)19-16(11-14)20-9-8-13-6-7-13/h10-11,13,18H,5-9,12H2,1-4H3.
What are the key properties of N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine?
N-[[2-tert-butyl-6-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 276.42 g/mol, XLogP of 3.67, 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-(2-cyclopropylethoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 106205435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).