(1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine

C12H20FN — CID 10607952

IUPAC(1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine
SMILESC[C@]12C[C@@H]3C[C@](N)(C1)C[C@@](C[18F])(C3)C2
InChIInChI=1S/C12H20FN/c1-10-2-9-3-11(5-10,8-13)7-12(14,4-9)6-10/h9H,2-8,14H2,1H3/t9-,10+,11+,12-/m0/s1/i13-1
InChIKeyJVAGSWCGOMXYJB-INQJSDAQSA-N
MW196.30 g/mol
LogP2.64
Rot. Bonds1

About (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine

(1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine (PubChem CID 10607952) has the molecular formula C12H20FN and a molecular weight of 196.30 g/mol. Its IUPAC name is (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine.

Molecular Properties

Compound Name(1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine
PubChem CID10607952
Molecular FormulaC12H20FN
Molecular Weight196.30 g/mol
Exact Mass196.16
IUPAC Name(1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine
SMILESC[C@]12C[C@@H]3C[C@](N)(C1)C[C@@](C[18F])(C3)C2
InChIInChI=1S/C12H20FN/c1-10-2-9-3-11(5-10,8-13)7-12(14,4-9)6-10/h9H,2-8,14H2,1H3/t9-,10+,11+,12-/m0/s1/i13-1
InChIKeyJVAGSWCGOMXYJB-INQJSDAQSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 2130
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CID 1263681
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CID 50234
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CID 11229655
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CID 64352
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CID 10013264
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CID 3010140
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CID 84088234
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CID 90318428
CID 90318428

Frequently Asked Questions

What is the IUPAC name of (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine?
The IUPAC name of (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine (CID 10607952) is (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine.
What is the SMILES notation for (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine?
The canonical SMILES for (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine is C[C@]12C[C@@H]3C[C@](N)(C1)C[C@@](C[18F])(C3)C2.
What is the InChIKey of (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine?
The InChIKey is JVAGSWCGOMXYJB-INQJSDAQSA-N. The full InChI is InChI=1S/C12H20FN/c1-10-2-9-3-11(5-10,8-13)7-12(14,4-9)6-10/h9H,2-8,14H2,1H3/t9-,10+,11+,12-/m0/s1/i13-1.
What are the key properties of (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine?
(1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,5R,7S)-3-((18F)fluoromethyl)-5-methyladamantan-1-amine is sourced from PubChem (CID 10607952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).