N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine

C12H17FN2 — CID 63996165

IUPACN-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine
SMILESCCC(CC1CC1)Nc1cccc(F)n1
InChIInChI=1S/C12H17FN2/c1-2-10(8-9-6-7-9)14-12-5-3-4-11(13)15-12/h3-5,9-10H,2,6-8H2,1H3,(H,14,15)
InChIKeyMWTJAMOVXDDOAO-UHFFFAOYSA-N
MW208.28 g/mol
LogP3.21
Rot. Bonds5

About N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine

N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine (PubChem CID 63996165) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine
PubChem CID63996165
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC NameN-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine
SMILESCCC(CC1CC1)Nc1cccc(F)n1
InChIInChI=1S/C12H17FN2/c1-2-10(8-9-6-7-9)14-12-5-3-4-11(13)15-12/h3-5,9-10H,2,6-8H2,1H3,(H,14,15)
InChIKeyMWTJAMOVXDDOAO-UHFFFAOYSA-N
XLogP3.21
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 53.21
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-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine?
The IUPAC name of N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine (CID 63996165) is N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine.
What is the SMILES notation for N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine?
The canonical SMILES for N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine is CCC(CC1CC1)Nc1cccc(F)n1.
What is the InChIKey of N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine?
The InChIKey is MWTJAMOVXDDOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-2-10(8-9-6-7-9)14-12-5-3-4-11(13)15-12/h3-5,9-10H,2,6-8H2,1H3,(H,14,15).
What are the key properties of N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine?
N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine has a molecular weight of 208.28 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylbutan-2-yl)-6-fluoropyridin-2-amine is sourced from PubChem (CID 63996165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).