N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine

C14H24N2O — CID 66226819

IUPACN-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCC(C)(C)C)n1
InChIInChI=1S/C14H24N2O/c1-5-15-11-12-7-6-8-13(16-12)17-10-9-14(2,3)4/h6-8,15H,5,9-11H2,1-4H3
InChIKeyDTUXRHQURHJMOZ-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.01
Rot. Bonds6

About N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine

N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine (PubChem CID 66226819) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
PubChem CID66226819
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC NameN-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine
SMILESCCNCc1cccc(OCCC(C)(C)C)n1
InChIInChI=1S/C14H24N2O/c1-5-15-11-12-7-6-8-13(16-12)17-10-9-14(2,3)4/h6-8,15H,5,9-11H2,1-4H3
InChIKeyDTUXRHQURHJMOZ-UHFFFAOYSA-N
XLogP3.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine (CID 66226819) is N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine is CCNCc1cccc(OCCC(C)(C)C)n1.
What is the InChIKey of N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine?
The InChIKey is DTUXRHQURHJMOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-5-15-11-12-7-6-8-13(16-12)17-10-9-14(2,3)4/h6-8,15H,5,9-11H2,1-4H3.
What are the key properties of N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine?
N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine has a molecular weight of 236.36 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(3,3-dimethylbutoxy)-2-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 66226819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).