5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine

C17H31N3O — CID 80637510

IUPAC5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
SMILESCCN(c1ncc(CNC(C)(C)C)cc1C)C(C)COC
InChIInChI=1S/C17H31N3O/c1-8-20(14(3)12-21-7)16-13(2)9-15(10-18-16)11-19-17(4,5)6/h9-10,14,19H,8,11-12H2,1-7H3
InChIKeySYTWEMBYCJNTOU-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.14
Rot. Bonds7

About 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine

5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine (PubChem CID 80637510) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
PubChem CID80637510
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
SMILESCCN(c1ncc(CNC(C)(C)C)cc1C)C(C)COC
InChIInChI=1S/C17H31N3O/c1-8-20(14(3)12-21-7)16-13(2)9-15(10-18-16)11-19-17(4,5)6/h9-10,14,19H,8,11-12H2,1-7H3
InChIKeySYTWEMBYCJNTOU-UHFFFAOYSA-N
XLogP3.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine (CID 80637510) is 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine is CCN(c1ncc(CNC(C)(C)C)cc1C)C(C)COC.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine?
The InChIKey is SYTWEMBYCJNTOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-8-20(14(3)12-21-7)16-13(2)9-15(10-18-16)11-19-17(4,5)6/h9-10,14,19H,8,11-12H2,1-7H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine?
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.14, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine is sourced from PubChem (CID 80637510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).