1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

C16H29N3O — CID 81250486

IUPAC1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1ccncc1CNC(C)(C)C
InChIInChI=1S/C16H29N3O/c1-15(2,3)18-11-13-10-17-9-8-14(13)20-12-16(4,5)19(6)7/h8-10,18H,11-12H2,1-7H3
InChIKeyWHKTXQMGYXHYSI-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.69
Rot. Bonds6

About 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine

1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (PubChem CID 81250486) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.

Molecular Properties

Compound Name1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
PubChem CID81250486
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine
SMILESCN(C)C(C)(C)COc1ccncc1CNC(C)(C)C
InChIInChI=1S/C16H29N3O/c1-15(2,3)18-11-13-10-17-9-8-14(13)20-12-16(4,5)19(6)7/h8-10,18H,11-12H2,1-7H3
InChIKeyWHKTXQMGYXHYSI-UHFFFAOYSA-N
XLogP2.69
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine with MolForge

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Related Compounds

N,N,2-trimethyl-1-[[3-(methylaminomethyl)-4-pyridinyl]oxy]propan-2-amine
CID 81250555
2-methyl-N-[(4-propoxy-3-pyridinyl)methyl]propan-2-amine
CID 81255020
2-methyl-N-[[4-(3-methylbutan-2-yloxy)-3-pyridinyl]methyl]propan-2-amine
CID 81251051
N-[[4-[3-(2-methoxyethoxy)propoxy]-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 103405855
N-[[3-[2-(dimethylamino)-2-methylpropoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 105075823
2-methyl-N-[[4-(oxan-4-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81250387
N-[[4-(2,5-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254211
2-methyl-N-[[4-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 81254995
3-[2-(dimethylamino)-2-methylpropoxy]pyridine-4-carbonitrile
CID 114287980
N-[[4-(3-bromophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81250294
N-[[4-(2,4-dichlorophenoxy)-3-pyridinyl]methyl]-2-methylpropan-2-amine
CID 81254059
1-[5-[(tert-butylamino)methyl]-4-methylpyrimidin-2-yl]oxy-N,N,2-trimethylpropan-2-amine
CID 83187513

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The IUPAC name of 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine (CID 81250486) is 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine.
What is the SMILES notation for 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The canonical SMILES for 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is CN(C)C(C)(C)COc1ccncc1CNC(C)(C)C.
What is the InChIKey of 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
The InChIKey is WHKTXQMGYXHYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-15(2,3)18-11-13-10-17-9-8-14(13)20-12-16(4,5)19(6)7/h8-10,18H,11-12H2,1-7H3.
What are the key properties of 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine?
1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(tert-butylamino)methyl]-4-pyridinyl]oxy]-N,N,2-trimethylpropan-2-amine is sourced from PubChem (CID 81250486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).