6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine

C15H21FN2 — CID 116812924

IUPAC6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1cccc(F)n1)C2
InChIInChI=1S/C15H21FN2/c1-14(2)10-7-8-15(14,3)11(9-10)17-13-6-4-5-12(16)18-13/h4-6,10-11H,7-9H2,1-3H3,(H,17,18)
InChIKeyISUGSCFLDHDNLM-UHFFFAOYSA-N
MW248.34 g/mol
LogP3.85
Rot. Bonds2

About 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine

6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine (PubChem CID 116812924) has the molecular formula C15H21FN2 and a molecular weight of 248.34 g/mol. Its IUPAC name is 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine.

Molecular Properties

Compound Name6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine
PubChem CID116812924
Molecular FormulaC15H21FN2
Molecular Weight248.34 g/mol
Exact Mass248.17
IUPAC Name6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine
SMILESCC1(C)C2CCC1(C)C(Nc1cccc(F)n1)C2
InChIInChI=1S/C15H21FN2/c1-14(2)10-7-8-15(14,3)11(9-10)17-13-6-4-5-12(16)18-13/h4-6,10-11H,7-9H2,1-3H3,(H,17,18)
InChIKeyISUGSCFLDHDNLM-UHFFFAOYSA-N
XLogP3.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 53.85
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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Related Compounds

N-(2,6-difluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 55197879
(1S,2R,4R)-1,7,7-trimethyl-N-phenylbicyclo[2.2.1]heptan-2-amine
CID 22629760
4-N,4-N-dimethyl-2-N-phenyl-6-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrimidine-2,4,6-triamine
CID 68562505
2-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-3-amine
CID 79041755
2,6-dichloro-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)amino]phenol
CID 107679442
N-(2-bromo-4-fluorophenyl)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 63421949
(1R,2R,4R)-1,7,7-trimethyl-N-tritylbicyclo[2.2.1]heptan-2-amine
CID 101028806
1,7,7-trimethyl-N-(2-propan-2-ylphenyl)bicyclo[2.2.1]heptan-2-amine
CID 63419456
6-(4-methylpiperazin-1-yl)-4-N-[(1R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyrimidine-2,4-diamine
CID 67455258
N-(3-ethoxy-2-ethyl-2-methylcyclobutyl)-6-fluoropyridin-2-amine
CID 116812956
N-(3,4-dimethylcyclohexyl)-6-fluoropyridin-2-amine
CID 64741980
6-fluoro-N-(3,3,5-trimethylcyclohexyl)pyridin-2-amine
CID 113228053

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine?
The IUPAC name of 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine (CID 116812924) is 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine.
What is the SMILES notation for 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine?
The canonical SMILES for 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine is CC1(C)C2CCC1(C)C(Nc1cccc(F)n1)C2.
What is the InChIKey of 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine?
The InChIKey is ISUGSCFLDHDNLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN2/c1-14(2)10-7-8-15(14,3)11(9-10)17-13-6-4-5-12(16)18-13/h4-6,10-11H,7-9H2,1-3H3,(H,17,18).
What are the key properties of 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine?
6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine has a molecular weight of 248.34 g/mol, XLogP of 3.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyridin-2-amine is sourced from PubChem (CID 116812924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).