4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine

C12H21N3 — CID 63964708

IUPAC4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCC(C)(C)N(C)Cc1ccnc(N)c1
InChIInChI=1S/C12H21N3/c1-5-12(2,3)15(4)9-10-6-7-14-11(13)8-10/h6-8H,5,9H2,1-4H3,(H2,13,14)
InChIKeyJFKUBECWNJYLKJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.28
Rot. Bonds4

About 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine

4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine (PubChem CID 63964708) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine
PubChem CID63964708
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine
SMILESCCC(C)(C)N(C)Cc1ccnc(N)c1
InChIInChI=1S/C12H21N3/c1-5-12(2,3)15(4)9-10-6-7-14-11(13)8-10/h6-8H,5,9H2,1-4H3,(H2,13,14)
InChIKeyJFKUBECWNJYLKJ-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-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 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The IUPAC name of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine (CID 63964708) is 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine.
What is the SMILES notation for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The canonical SMILES for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine is CCC(C)(C)N(C)Cc1ccnc(N)c1.
What is the InChIKey of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
The InChIKey is JFKUBECWNJYLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-5-12(2,3)15(4)9-10-6-7-14-11(13)8-10/h6-8H,5,9H2,1-4H3,(H2,13,14).
What are the key properties of 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine?
4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine has a molecular weight of 207.32 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(2-methylbutan-2-yl)amino]methyl]pyridin-2-amine is sourced from PubChem (CID 63964708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).