N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine

C17H31N3 — CID 106906368

IUPACN-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1cccc(CNC(C)(C)C)n1)CC(C)(C)C
InChIInChI=1S/C17H31N3/c1-16(2,3)13-20(7)12-15-10-8-9-14(19-15)11-18-17(4,5)6/h8-10,18H,11-13H2,1-7H3
InChIKeyTVOXMRZXZUYUQJ-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.45
Rot. Bonds5

About N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine

N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine (PubChem CID 106906368) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound NameN-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine
PubChem CID106906368
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine
SMILESCN(Cc1cccc(CNC(C)(C)C)n1)CC(C)(C)C
InChIInChI=1S/C17H31N3/c1-16(2,3)13-20(7)12-15-10-8-9-14(19-15)11-18-17(4,5)6/h8-10,18H,11-13H2,1-7H3
InChIKeyTVOXMRZXZUYUQJ-UHFFFAOYSA-N
XLogP3.45
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-[[cyclopropylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106905994
2-methyl-N-[[6-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106905820
2-methyl-N-[[6-[[methyl(2-methylsulfonylethyl)amino]methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906865
N-[[6-[[cyclobutylmethyl(methyl)amino]methyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106906442
N-[(6-hydrazinyl-2-pyridinyl)methyl]-N,2,2-trimethylpropan-1-amine
CID 79243038
N-[[2-[(tert-butylamino)methyl]-1,3-thiazol-4-yl]methyl]-N,2,2-trimethylpropan-1-amine
CID 62461729
N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,4-dimethylpentan-2-amine
CID 106906400
N-[[6-(2-tert-butyl-3,3-dimethylbutyl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 131982469
N-[[6-[2-(diethylamino)ethoxymethyl]-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 106908088
6-[(tert-butylamino)methyl]-N-methyl-N-(2-methylpropyl)pyridin-2-amine
CID 62278708
2-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-2-pyridinyl]methyl]propan-2-amine
CID 62291642
2-methyl-N-[[6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]propan-2-amine
CID 62291181

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine?
The IUPAC name of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine (CID 106906368) is N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine is CN(Cc1cccc(CNC(C)(C)C)n1)CC(C)(C)C.
What is the InChIKey of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine?
The InChIKey is TVOXMRZXZUYUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-16(2,3)13-20(7)12-15-10-8-9-14(19-15)11-18-17(4,5)6/h8-10,18H,11-13H2,1-7H3.
What are the key properties of N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine?
N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine has a molecular weight of 277.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(tert-butylamino)methyl]-2-pyridinyl]methyl]-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 106906368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).