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

C16H29N3O — CID 62282843

IUPAC3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCCN(c1ncccc1CNC(C)(C)C)C(C)COC
InChIInChI=1S/C16H29N3O/c1-7-19(13(2)12-20-6)15-14(9-8-10-17-15)11-18-16(3,4)5/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyYCOWGMAXDUYSBG-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.83
Rot. Bonds7

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

3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine (PubChem CID 62282843) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
PubChem CID62282843
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine
SMILESCCN(c1ncccc1CNC(C)(C)C)C(C)COC
InChIInChI=1S/C16H29N3O/c1-7-19(13(2)12-20-6)15-14(9-8-10-17-15)11-18-16(3,4)5/h8-10,13,18H,7,11-12H2,1-6H3
InChIKeyYCOWGMAXDUYSBG-UHFFFAOYSA-N
XLogP2.83
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(tert-butylamino)methyl]-N,N-diethylpyridin-2-amine
CID 62285753
N-[[2-[[1-methoxypropan-2-yl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62429121
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
CID 80637510
6-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridazin-3-amine
CID 62283025
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyrazin-2-amine
CID 107379397
3-(ethylaminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82952630
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62289999
N-[[2-(3-methoxypropoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62288771
N-ethyl-3-fluoro-N-(1-methoxypropan-2-yl)-4-(propylaminomethyl)pyridin-2-amine
CID 105389291
2-methyl-N-[[2-(3-methylbutoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62290152
N-[(2-ethoxy-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 62290832
3-[(tert-butylamino)methyl]-N-methyl-N-(3-methylphenyl)pyridin-2-amine
CID 62294058

Frequently Asked Questions

What is the IUPAC name of 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The IUPAC name of 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine (CID 62282843) is 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The canonical SMILES for 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine is CCN(c1ncccc1CNC(C)(C)C)C(C)COC.
What is the InChIKey of 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine?
The InChIKey is YCOWGMAXDUYSBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-19(13(2)12-20-6)15-14(9-8-10-17-15)11-18-16(3,4)5/h8-10,13,18H,7,11-12H2,1-6H3.
What are the key properties of 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine?
3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)pyridin-2-amine is sourced from PubChem (CID 62282843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).