6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine

C14H25N3 — CID 115147791

IUPAC6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine
SMILESCc1nc(NCC(C)(C)CC(C)C)ccc1N
InChIInChI=1S/C14H25N3/c1-10(2)8-14(4,5)9-16-13-7-6-12(15)11(3)17-13/h6-7,10H,8-9,15H2,1-5H3,(H,16,17)
InChIKeyPSCDOCGPERYWSA-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.46
Rot. Bonds5

About 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine

6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine (PubChem CID 115147791) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine
PubChem CID115147791
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine
SMILESCc1nc(NCC(C)(C)CC(C)C)ccc1N
InChIInChI=1S/C14H25N3/c1-10(2)8-14(4,5)9-16-13-7-6-12(15)11(3)17-13/h6-7,10H,8-9,15H2,1-5H3,(H,16,17)
InChIKeyPSCDOCGPERYWSA-UHFFFAOYSA-N
XLogP3.46
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine?
The IUPAC name of 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine (CID 115147791) is 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine.
What is the SMILES notation for 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine?
The canonical SMILES for 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine is Cc1nc(NCC(C)(C)CC(C)C)ccc1N.
What is the InChIKey of 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine?
The InChIKey is PSCDOCGPERYWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-10(2)8-14(4,5)9-16-13-7-6-12(15)11(3)17-13/h6-7,10H,8-9,15H2,1-5H3,(H,16,17).
What are the key properties of 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine?
6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine has a molecular weight of 235.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2,2,4-trimethylpentyl)pyridine-2,5-diamine is sourced from PubChem (CID 115147791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).