[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol

C17H25NO — CID 153437146

IUPAC[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
SMILESC[C@@]12CCCCC[C@@H](Cc3ccc(CO)cc31)C2N
InChIInChI=1S/C17H25NO/c1-17-8-4-2-3-5-14(16(17)18)10-13-7-6-12(11-19)9-15(13)17/h6-7,9,14,16,19H,2-5,8,10-11,18H2,1H3/t14-,16?,17+/m0/s1
InChIKeyZPNBJZDNTLVLFH-DRXWIORDSA-N
MW259.39 g/mol
LogP2.90
Rot. Bonds1

About [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol

[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol (PubChem CID 153437146) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol.

Molecular Properties

Compound Name[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
PubChem CID153437146
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
SMILESC[C@@]12CCCCC[C@@H](Cc3ccc(CO)cc31)C2N
InChIInChI=1S/C17H25NO/c1-17-8-4-2-3-5-14(16(17)18)10-13-7-6-12(11-19)9-15(13)17/h6-7,9,14,16,19H,2-5,8,10-11,18H2,1H3/t14-,16?,17+/m0/s1
InChIKeyZPNBJZDNTLVLFH-DRXWIORDSA-N
XLogP2.90
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol?
The IUPAC name of [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol (CID 153437146) is [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol.
What is the SMILES notation for [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol?
The canonical SMILES for [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol is C[C@@]12CCCCC[C@@H](Cc3ccc(CO)cc31)C2N.
What is the InChIKey of [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol?
The InChIKey is ZPNBJZDNTLVLFH-DRXWIORDSA-N. The full InChI is InChI=1S/C17H25NO/c1-17-8-4-2-3-5-14(16(17)18)10-13-7-6-12(11-19)9-15(13)17/h6-7,9,14,16,19H,2-5,8,10-11,18H2,1H3/t14-,16?,17+/m0/s1.
What are the key properties of [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol?
[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol has a molecular weight of 259.39 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol is sourced from PubChem (CID 153437146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).