2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine

C16H29N3O — CID 82952467

IUPAC2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
SMILESCOCCN(c1ccnc(CNC(C)(C)C)c1)C(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)19(9-10-20-6)15-7-8-17-14(11-15)12-18-16(3,4)5/h7-8,11,13,18H,9-10,12H2,1-6H3
InChIKeyYABHAWWRMCXXEQ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.83
Rot. Bonds7

About 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine

2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine (PubChem CID 82952467) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
PubChem CID82952467
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine
SMILESCOCCN(c1ccnc(CNC(C)(C)C)c1)C(C)C
InChIInChI=1S/C16H29N3O/c1-13(2)19(9-10-20-6)15-7-8-17-14(11-15)12-18-16(3,4)5/h7-8,11,13,18H,9-10,12H2,1-6H3
InChIKeyYABHAWWRMCXXEQ-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

N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-(methylaminomethyl)pyridin-4-amine
CID 62289768
N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287084
2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine
CID 62283361
N-butan-2-yl-6-[(tert-butylamino)methyl]-N-(2-methoxyethyl)pyridazin-3-amine
CID 62287757
4-(aminomethyl)-N-(2-methoxyethyl)-N-propan-2-ylpyridin-2-amine
CID 82948148
2-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 62300700
2-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)pyridin-4-amine
CID 62285332
N-pentyl-N-propan-2-yl-2-(propylaminomethyl)pyridin-4-amine
CID 62292935
2-[(tert-butylamino)methyl]-N,N-bis(prop-2-enyl)pyridin-4-amine
CID 55055081
2-[2-methoxyethyl(propan-2-yl)amino]pyridine-4-carboxylic acid
CID 82951662
2-[(tert-butylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-4-amine
CID 63488590
N-(2-methoxyethyl)-N-propan-2-yl-4-[1-(propylamino)ethyl]pyridin-2-amine
CID 82951129

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine (CID 82952467) is 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine is COCCN(c1ccnc(CNC(C)(C)C)c1)C(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine?
The InChIKey is YABHAWWRMCXXEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-13(2)19(9-10-20-6)15-7-8-17-14(11-15)12-18-16(3,4)5/h7-8,11,13,18H,9-10,12H2,1-6H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine?
2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-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 2-[(tert-butylamino)methyl]-N-(2-methoxyethyl)-N-propan-2-ylpyridin-4-amine is sourced from PubChem (CID 82952467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).