2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine

C12H20N2O — CID 62583986

IUPAC2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCC(C)OCCNCc1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-11(2)15-9-8-13-10-12-6-4-5-7-14-12/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyDYYAVBAIYPMYDY-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.99
Rot. Bonds7

About 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine

2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine (PubChem CID 62583986) has the molecular formula C12H20N2O and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
PubChem CID62583986
Molecular FormulaC12H20N2O
Molecular Weight208.31 g/mol
Exact Mass208.16
IUPAC Name2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine
SMILESCCC(C)OCCNCc1ccccn1
InChIInChI=1S/C12H20N2O/c1-3-11(2)15-9-8-13-10-12-6-4-5-7-14-12/h4-7,11,13H,3,8-10H2,1-2H3
InChIKeyDYYAVBAIYPMYDY-UHFFFAOYSA-N
XLogP1.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(pyridin-2-ylmethyl)-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66275980
N'-(pyridin-2-ylmethyl)-N-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 12029921
ethanamine;N-(pyridin-2-ylmethyl)propan-1-amine
CID 144892285
(2S,3S)-3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 28618020
2-(2-propoxypropyl)pyridine
CID 121216796
3-methyl-N-(pyridin-2-ylmethyl)pentan-2-amine
CID 43201494
N'-propan-2-yl-N'-propyl-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 55089689
2-(3-methyl-4-propan-2-ylphenoxy)-N-(pyridin-2-ylmethyl)ethanamine
CID 60684901
2-methyl-N-(pyridin-2-ylmethyl)propan-1-amine;hydrochloride
CID 17332283
N'-(2-methoxyethyl)-N'-(2-methylpropyl)-N-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 62555011
2-N,2-N-diethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 115581231
N'-[ethoxy(pyridin-2-yl)methyl]-N-(pyridin-2-ylmethyl)-N'-[2-(pyridin-2-ylmethylamino)ethyl]ethane-1,2-diamine
CID 15905284

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine?
The IUPAC name of 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine (CID 62583986) is 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine?
The canonical SMILES for 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine is CCC(C)OCCNCc1ccccn1.
What is the InChIKey of 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine?
The InChIKey is DYYAVBAIYPMYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-3-11(2)15-9-8-13-10-12-6-4-5-7-14-12/h4-7,11,13H,3,8-10H2,1-2H3.
What are the key properties of 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine?
2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yloxy-N-(pyridin-2-ylmethyl)ethanamine is sourced from PubChem (CID 62583986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).