6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine

C11H20N4 — CID 79826217

IUPAC6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine
SMILESCC(C)CC(C)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4/c1-7(2)6-8(3)14-10-5-4-9(12)11(13)15-10/h4-5,7-8H,6,12H2,1-3H3,(H3,13,14,15)
InChIKeyQHWNLYNFSCTHLH-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.09
Rot. Bonds4

About 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine

6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine (PubChem CID 79826217) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine.

Molecular Properties

Compound Name6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine
PubChem CID79826217
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine
SMILESCC(C)CC(C)Nc1ccc(N)c(N)n1
InChIInChI=1S/C11H20N4/c1-7(2)6-8(3)14-10-5-4-9(12)11(13)15-10/h4-5,7-8H,6,12H2,1-3H3,(H3,13,14,15)
InChIKeyQHWNLYNFSCTHLH-UHFFFAOYSA-N
XLogP2.09
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 43345
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CID 24850786
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CID 43347
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CID 3042790
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CID 44547268
CID 44547268
CID 3042800
CID 3042800
CID 12343669
CID 12343669
CID 44570842
CID 44570842
CID 54580885
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CID 54586763
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CID 54587787
CID 54587787
CID 54587788
CID 54587788

Frequently Asked Questions

What is the IUPAC name of 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine?
The IUPAC name of 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine (CID 79826217) is 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine.
What is the SMILES notation for 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine?
The canonical SMILES for 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine is CC(C)CC(C)Nc1ccc(N)c(N)n1.
What is the InChIKey of 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine?
The InChIKey is QHWNLYNFSCTHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7(2)6-8(3)14-10-5-4-9(12)11(13)15-10/h4-5,7-8H,6,12H2,1-3H3,(H3,13,14,15).
What are the key properties of 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine?
6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine has a molecular weight of 208.31 g/mol, XLogP of 2.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-methylpentan-2-yl)pyridine-2,3,6-triamine is sourced from PubChem (CID 79826217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).