3-methyl-N-(7-methyloctyl)pyridin-4-amine

C15H26N2 — CID 107816087

IUPAC3-methyl-N-(7-methyloctyl)pyridin-4-amine
SMILESCc1cnccc1NCCCCCCC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)8-6-4-5-7-10-17-15-9-11-16-12-14(15)3/h9,11-13H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyLJYDHGBXUQDYRE-UHFFFAOYSA-N
MW234.39 g/mol
LogP4.41
Rot. Bonds8

About 3-methyl-N-(7-methyloctyl)pyridin-4-amine

3-methyl-N-(7-methyloctyl)pyridin-4-amine (PubChem CID 107816087) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 3-methyl-N-(7-methyloctyl)pyridin-4-amine.

Molecular Properties

Compound Name3-methyl-N-(7-methyloctyl)pyridin-4-amine
PubChem CID107816087
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name3-methyl-N-(7-methyloctyl)pyridin-4-amine
SMILESCc1cnccc1NCCCCCCC(C)C
InChIInChI=1S/C15H26N2/c1-13(2)8-6-4-5-7-10-17-15-9-11-16-12-14(15)3/h9,11-13H,4-8,10H2,1-3H3,(H,16,17)
InChIKeyLJYDHGBXUQDYRE-UHFFFAOYSA-N
XLogP4.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(7-methyloctyl)pyridin-4-amine?
The IUPAC name of 3-methyl-N-(7-methyloctyl)pyridin-4-amine (CID 107816087) is 3-methyl-N-(7-methyloctyl)pyridin-4-amine.
What is the SMILES notation for 3-methyl-N-(7-methyloctyl)pyridin-4-amine?
The canonical SMILES for 3-methyl-N-(7-methyloctyl)pyridin-4-amine is Cc1cnccc1NCCCCCCC(C)C.
What is the InChIKey of 3-methyl-N-(7-methyloctyl)pyridin-4-amine?
The InChIKey is LJYDHGBXUQDYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-13(2)8-6-4-5-7-10-17-15-9-11-16-12-14(15)3/h9,11-13H,4-8,10H2,1-3H3,(H,16,17).
What are the key properties of 3-methyl-N-(7-methyloctyl)pyridin-4-amine?
3-methyl-N-(7-methyloctyl)pyridin-4-amine has a molecular weight of 234.39 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(7-methyloctyl)pyridin-4-amine is sourced from PubChem (CID 107816087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).