N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

C16H28N2O — CID 82927537

IUPACN-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H28N2O/c1-6-13(7-2)12-19-15-9-8-14(17-11-15)10-18-16(3,4)5/h8-9,11,13,18H,6-7,10,12H2,1-5H3
InChIKeyYNWXBSGIBYJRRL-UHFFFAOYSA-N
MW264.41 g/mol
LogP3.78
Rot. Bonds7

About N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine

N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (PubChem CID 82927537) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
PubChem CID82927537
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC NameN-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine
SMILESCCC(CC)COc1ccc(CNC(C)(C)C)nc1
InChIInChI=1S/C16H28N2O/c1-6-13(7-2)12-19-15-9-8-14(17-11-15)10-18-16(3,4)5/h8-9,11,13,18H,6-7,10,12H2,1-5H3
InChIKeyYNWXBSGIBYJRRL-UHFFFAOYSA-N
XLogP3.78
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine (CID 82927537) is N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is CCC(CC)COc1ccc(CNC(C)(C)C)nc1.
What is the InChIKey of N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
The InChIKey is YNWXBSGIBYJRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-6-13(7-2)12-19-15-9-8-14(17-11-15)10-18-16(3,4)5/h8-9,11,13,18H,6-7,10,12H2,1-5H3.
What are the key properties of N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine?
N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine has a molecular weight of 264.41 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethylbutoxy)-2-pyridinyl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 82927537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).