3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine

C12H21N3 — CID 81246543

IUPAC3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
SMILESCN(CC(C)(C)C)c1ccncc1CN
InChIInChI=1S/C12H21N3/c1-12(2,3)9-15(4)11-5-6-14-8-10(11)7-13/h5-6,8H,7,9,13H2,1-4H3
InChIKeyILXUMVQTRGCJHJ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds3

About 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine

3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine (PubChem CID 81246543) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
PubChem CID81246543
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
SMILESCN(CC(C)(C)C)c1ccncc1CN
InChIInChI=1S/C12H21N3/c1-12(2,3)9-15(4)11-5-6-14-8-10(11)7-13/h5-6,8H,7,9,13H2,1-4H3
InChIKeyILXUMVQTRGCJHJ-UHFFFAOYSA-N
XLogP2.02
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
The IUPAC name of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine (CID 81246543) is 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine is CN(CC(C)(C)C)c1ccncc1CN.
What is the InChIKey of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
The InChIKey is ILXUMVQTRGCJHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)9-15(4)11-5-6-14-8-10(11)7-13/h5-6,8H,7,9,13H2,1-4H3.
What are the key properties of 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine?
3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine has a molecular weight of 207.32 g/mol, XLogP of 2.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 81246543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).