5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine

C17H31N3O — CID 80637533

IUPAC5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
SMILESCCOCCN(CC)c1ncc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H31N3O/c1-7-20(9-10-21-8-2)16-14(3)11-15(12-18-16)13-19-17(4,5)6/h11-12,19H,7-10,13H2,1-6H3
InChIKeyWNVACDGEOHVQDP-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.14
Rot. Bonds8

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

5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine (PubChem CID 80637533) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine.

Molecular Properties

Compound Name5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
PubChem CID80637533
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
SMILESCCOCCN(CC)c1ncc(CNC(C)(C)C)cc1C
InChIInChI=1S/C17H31N3O/c1-7-20(9-10-21-8-2)16-14(3)11-15(12-18-16)13-19-17(4,5)6/h11-12,19H,7-10,13H2,1-6H3
InChIKeyWNVACDGEOHVQDP-UHFFFAOYSA-N
XLogP3.14
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine
CID 80636298
[6-[2-ethoxyethyl(ethyl)amino]-5-methyl-3-pyridinyl]methanol
CID 80629506
5-[(tert-butylamino)methyl]-N-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pyridin-2-amine
CID 80637359
5-[(tert-butylamino)methyl]-N-ethyl-N-(1-methoxypropan-2-yl)-3-methylpyridin-2-amine
CID 80637510
N-ethyl-3-methyl-N-propyl-5-(propylaminomethyl)pyridin-2-amine
CID 80629655
4-[(tert-butylamino)methyl]-5-chloro-N-(2-ethoxyethyl)-N-ethylpyridin-2-amine
CID 114926488
N'-[5-[(tert-butylamino)methyl]-3-methyl-2-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 80637710
N-butyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-3-methylpyridin-2-amine
CID 80628897
5-[(cyclopropylamino)methyl]-N-(2-ethoxyethyl)-N,3-dimethylpyridin-2-amine
CID 81057209
5-[(tert-butylamino)methyl]-N,3-dimethyl-N-pentan-2-ylpyridin-2-amine
CID 80630255
N'-ethyl-N'-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpropane-1,3-diamine
CID 102995270
2-N-(2-ethoxyethyl)-2-N-ethyl-5-methylpyridine-2,3-diamine
CID 66280209

Frequently Asked Questions

What is the IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
The IUPAC name of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine (CID 80637533) is 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine.
What is the SMILES notation for 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
The canonical SMILES for 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine is CCOCCN(CC)c1ncc(CNC(C)(C)C)cc1C.
What is the InChIKey of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
The InChIKey is WNVACDGEOHVQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-20(9-10-21-8-2)16-14(3)11-15(12-18-16)13-19-17(4,5)6/h11-12,19H,7-10,13H2,1-6H3.
What are the key properties of 5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine?
5-[(tert-butylamino)methyl]-N-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine has a molecular weight of 293.46 g/mol, XLogP of 3.14, 8 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-(2-ethoxyethyl)-N-ethyl-3-methylpyridin-2-amine is sourced from PubChem (CID 80637533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).