6-chloro-N-(7-methyloctyl)pyridin-2-amine

C14H23ClN2 — CID 107817529

IUPAC6-chloro-N-(7-methyloctyl)pyridin-2-amine
SMILESCC(C)CCCCCCNc1cccc(Cl)n1
InChIInChI=1S/C14H23ClN2/c1-12(2)8-5-3-4-6-11-16-14-10-7-9-13(15)17-14/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,16,17)
InChIKeyMFIIAFBQGFWXIA-UHFFFAOYSA-N
MW254.80 g/mol
LogP4.75
Rot. Bonds8

About 6-chloro-N-(7-methyloctyl)pyridin-2-amine

6-chloro-N-(7-methyloctyl)pyridin-2-amine (PubChem CID 107817529) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is 6-chloro-N-(7-methyloctyl)pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-(7-methyloctyl)pyridin-2-amine
PubChem CID107817529
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name6-chloro-N-(7-methyloctyl)pyridin-2-amine
SMILESCC(C)CCCCCCNc1cccc(Cl)n1
InChIInChI=1S/C14H23ClN2/c1-12(2)8-5-3-4-6-11-16-14-10-7-9-13(15)17-14/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,16,17)
InChIKeyMFIIAFBQGFWXIA-UHFFFAOYSA-N
XLogP4.75
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-methyl-N-(7-methyloctyl)pyridin-2-amine
CID 107816090
6-N-(7-methyloctyl)-2-N-propylpyridine-2,6-diamine
CID 107818930
6-N-(7-methyloctyl)pyridine-2,6-diamine
CID 114004472
6-bromo-N-(5-methylhexyl)pyridin-2-amine
CID 115326764
N'-(6-chloro-2-pyridinyl)butane-1,4-diamine
CID 117097392
6-chloro-N-(2-methylpropyl)pyridin-2-amine
CID 53410300
N-(7-methyloctyl)pyridazin-3-amine
CID 107816275
4-chloro-N-(7-methyloctyl)-1,3-thiazol-2-amine
CID 107816095
2-methyl-N-(7-methyloctyl)pyrimidin-4-amine
CID 107816212
6-chloro-N-(3-ethoxypropyl)pyridin-2-amine
CID 53410274
6-N-(5-methylhexyl)pyridine-2,3,6-triamine
CID 115324674
6-ethoxy-N-(4-methylpentyl)pyridin-2-amine
CID 63589684

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(7-methyloctyl)pyridin-2-amine?
The IUPAC name of 6-chloro-N-(7-methyloctyl)pyridin-2-amine (CID 107817529) is 6-chloro-N-(7-methyloctyl)pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-(7-methyloctyl)pyridin-2-amine?
The canonical SMILES for 6-chloro-N-(7-methyloctyl)pyridin-2-amine is CC(C)CCCCCCNc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(7-methyloctyl)pyridin-2-amine?
The InChIKey is MFIIAFBQGFWXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-12(2)8-5-3-4-6-11-16-14-10-7-9-13(15)17-14/h7,9-10,12H,3-6,8,11H2,1-2H3,(H,16,17).
What are the key properties of 6-chloro-N-(7-methyloctyl)pyridin-2-amine?
6-chloro-N-(7-methyloctyl)pyridin-2-amine has a molecular weight of 254.80 g/mol, XLogP of 4.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(7-methyloctyl)pyridin-2-amine is sourced from PubChem (CID 107817529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).