2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine

C12H20N2O — CID 112649746

IUPAC2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine
SMILESCCC(C)(CN)OCc1ncccc1C
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-13)15-8-11-10(2)6-5-7-14-11/h5-7H,4,8-9,13H2,1-3H3
InChIKeyHRTOHPKDZNUDNU-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.03
Rot. Bonds5

About 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine

2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine (PubChem CID 112649746) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine
PubChem CID112649746
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine
SMILESCCC(C)(CN)OCc1ncccc1C
InChIInChI=1S/C12H20N2O/c1-4-12(3,9-13)15-8-11-10(2)6-5-7-14-11/h5-7H,4,8-9,13H2,1-3H3
InChIKeyHRTOHPKDZNUDNU-UHFFFAOYSA-N
XLogP2.03
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Doxylamine
CID 3162
2-Pyridinemethanol, 2-acetate
CID 13881
Methyl Picolinimidate
CID 152260
3-[(Piperidin-3-yloxy)methyl]pyridine
CID 45786849
2-Pyridinylmethyl butyrate
CID 99347
Propionic acid, 2,2-dimethyl-, 2-pyridylmethyl ester
CID 198257
2-(2-Methyl-1,3-dioxolan-2-yl)pyridine
CID 324521
3-(4,5-Dihydro-4,4-dimethyl-1,3-oxazol-2-yl)-4-methylpyridine
CID 2796523
2-(Methoxymethyl)pyridine
CID 253220
(S)-4-tert-Butyl-2-(2-pyridyl)oxazoline
CID 14337774
N-Desmethyldoxylamine
CID 135338
(5-Phenyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazol-4-yl)methanol
CID 3241242

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine?
The IUPAC name of 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine (CID 112649746) is 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine.
What is the SMILES notation for 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine?
The canonical SMILES for 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine is CCC(C)(CN)OCc1ncccc1C.
What is the InChIKey of 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine?
The InChIKey is HRTOHPKDZNUDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-4-12(3,9-13)15-8-11-10(2)6-5-7-14-11/h5-7H,4,8-9,13H2,1-3H3.
What are the key properties of 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine?
2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine has a molecular weight of 208.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(3-methyl-2-pyridinyl)methoxy]butan-1-amine is sourced from PubChem (CID 112649746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).