6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine

C14H25N3 — CID 80814827

IUPAC6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
SMILESCCNc1cccc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-7-15-12-9-8-10-13(16-12)17(6)11(2)14(3,4)5/h8-11H,7H2,1-6H3,(H,15,16)
InChIKeyKNYQWHREFLTZEN-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.38
Rot. Bonds4

About 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine

6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine (PubChem CID 80814827) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
PubChem CID80814827
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
SMILESCCNc1cccc(N(C)C(C)C(C)(C)C)n1
InChIInChI=1S/C14H25N3/c1-7-15-12-9-8-10-13(16-12)17(6)11(2)14(3,4)5/h8-11H,7H2,1-6H3,(H,15,16)
InChIKeyKNYQWHREFLTZEN-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine (CID 80814827) is 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine is CCNc1cccc(N(C)C(C)C(C)(C)C)n1.
What is the InChIKey of 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
The InChIKey is KNYQWHREFLTZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-7-15-12-9-8-10-13(16-12)17(6)11(2)14(3,4)5/h8-11H,7H2,1-6H3,(H,15,16).
What are the key properties of 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine has a molecular weight of 235.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 80814827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).