1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

C17H23FN2 — CID 62796571

IUPAC1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23FN2/c1-19-16(14-5-15(18)10-20-9-14)17-6-11-2-12(7-17)4-13(3-11)8-17/h5,9-13,16,19H,2-4,6-8H2,1H3
InChIKeyTXWGZRSIPCIEFQ-UHFFFAOYSA-N
MW274.38 g/mol
LogP3.70
Rot. Bonds3

About 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine

1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (PubChem CID 62796571) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
PubChem CID62796571
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
SMILESCNC(c1cncc(F)c1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C17H23FN2/c1-19-16(14-5-15(18)10-20-9-14)17-6-11-2-12(7-17)4-13(3-11)8-17/h5,9-13,16,19H,2-4,6-8H2,1H3
InChIKeyTXWGZRSIPCIEFQ-UHFFFAOYSA-N
XLogP3.70
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-pyridinyl)-1-(1-methoxy-3-methylcyclohexyl)-N-methylmethanamine
CID 116767893
1-(5-fluoro-3-pyridinyl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65413773
1-(1-ethoxycycloheptyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 116770894
1-(5-fluoro-3-pyridinyl)-N-methyl-1-[3-(trifluoromethyl)cyclohexyl]methanamine
CID 105102442
2,2,2-trifluoro-1-(5-fluoro-3-pyridinyl)-N-methylethanamine
CID 115805337
3-cyclopropyl-1-(5-fluoro-3-pyridinyl)-N-methylpropan-1-amine
CID 105157890
1-(4-fluorophenyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 54967877
1-(1-adamantyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80532686
[3-bicyclo[3.1.0]hexanyl-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288072
1-(1-adamantyl)-N-methyl-1-thiophen-2-ylmethanamine
CID 43483460
N-[1-(5-fluoro-3-pyridinyl)ethyl]-2,2,6,6-tetramethylpiperidin-4-amine
CID 103776178
ethane;N-[(5-fluoro-3-pyridinyl)-(methylamino)methyl]carbamothioyl chloride
CID 144542039

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The IUPAC name of 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine (CID 62796571) is 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The canonical SMILES for 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is CNC(c1cncc(F)c1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
The InChIKey is TXWGZRSIPCIEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c1-19-16(14-5-15(18)10-20-9-14)17-6-11-2-12(7-17)4-13(3-11)8-17/h5,9-13,16,19H,2-4,6-8H2,1H3.
What are the key properties of 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine?
1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine has a molecular weight of 274.38 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine is sourced from PubChem (CID 62796571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).