6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine

C12H21N3 — CID 80820064

IUPAC6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1cccc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-12(2,3)9-15(5)11-8-6-7-10(13-4)14-11/h6-8H,9H2,1-5H3,(H,13,14)
InChIKeyHKTPBDXBUQJDCQ-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.61
Rot. Bonds3

About 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine

6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine (PubChem CID 80820064) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine
PubChem CID80820064
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine
SMILESCNc1cccc(N(C)CC(C)(C)C)n1
InChIInChI=1S/C12H21N3/c1-12(2,3)9-15(5)11-8-6-7-10(13-4)14-11/h6-8H,9H2,1-5H3,(H,13,14)
InChIKeyHKTPBDXBUQJDCQ-UHFFFAOYSA-N
XLogP2.61
TPSA28.16 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 ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine?
The IUPAC name of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine (CID 80820064) is 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine is CNc1cccc(N(C)CC(C)(C)C)n1.
What is the InChIKey of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine?
The InChIKey is HKTPBDXBUQJDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-12(2,3)9-15(5)11-8-6-7-10(13-4)14-11/h6-8H,9H2,1-5H3,(H,13,14).
What are the key properties of 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine?
6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2,2-dimethylpropyl)-2-N,6-N-dimethylpyridine-2,6-diamine is sourced from PubChem (CID 80820064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).