2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine

C17H31N3 — CID 62283361

IUPAC2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine
SMILESCC(N(C)c1ccnc(CNC(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H31N3/c1-13(16(2,3)4)20(8)15-9-10-18-14(11-15)12-19-17(5,6)7/h9-11,13,19H,12H2,1-8H3
InChIKeyNKEHVNWDOMVOQO-UHFFFAOYSA-N
MW277.46 g/mol
LogP3.84
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine

2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine (PubChem CID 62283361) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine
PubChem CID62283361
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine
SMILESCC(N(C)c1ccnc(CNC(C)(C)C)c1)C(C)(C)C
InChIInChI=1S/C17H31N3/c1-13(16(2,3)4)20(8)15-9-10-18-14(11-15)12-19-17(5,6)7/h9-11,13,19H,12H2,1-8H3
InChIKeyNKEHVNWDOMVOQO-UHFFFAOYSA-N
XLogP3.84
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine?
The IUPAC name of 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine (CID 62283361) is 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine?
The canonical SMILES for 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine is CC(N(C)c1ccnc(CNC(C)(C)C)c1)C(C)(C)C.
What is the InChIKey of 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine?
The InChIKey is NKEHVNWDOMVOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(16(2,3)4)20(8)15-9-10-18-14(11-15)12-19-17(5,6)7/h9-11,13,19H,12H2,1-8H3.
What are the key properties of 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine?
2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine has a molecular weight of 277.46 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-4-amine is sourced from PubChem (CID 62283361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).