N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine

C11H17FN2 — CID 64597219

IUPACN-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
SMILESCC(C)C(C)CNc1cccc(F)n1
InChIInChI=1S/C11H17FN2/c1-8(2)9(3)7-13-11-6-4-5-10(12)14-11/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyLLYPNVUABXMTEK-UHFFFAOYSA-N
MW196.27 g/mol
LogP2.92
Rot. Bonds4

About N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine

N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine (PubChem CID 64597219) has the molecular formula C11H17FN2 and a molecular weight of 196.27 g/mol. Its IUPAC name is N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
PubChem CID64597219
Molecular FormulaC11H17FN2
Molecular Weight196.27 g/mol
Exact Mass196.14
IUPAC NameN-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine
SMILESCC(C)C(C)CNc1cccc(F)n1
InChIInChI=1S/C11H17FN2/c1-8(2)9(3)7-13-11-6-4-5-10(12)14-11/h4-6,8-9H,7H2,1-3H3,(H,13,14)
InChIKeyLLYPNVUABXMTEK-UHFFFAOYSA-N
XLogP2.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine (CID 64597219) is N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine is CC(C)C(C)CNc1cccc(F)n1.
What is the InChIKey of N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine?
The InChIKey is LLYPNVUABXMTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2/c1-8(2)9(3)7-13-11-6-4-5-10(12)14-11/h4-6,8-9H,7H2,1-3H3,(H,13,14).
What are the key properties of N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine?
N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine has a molecular weight of 196.27 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylbutyl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 64597219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).