(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol

C16H23NO — CID 3033053

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IUPAC(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
SMILESC[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N
InChIInChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
InChIKeyVTMVHDZWSFQSQP-VBNZEHGJSA-N
MW245.37 g/mol
LogP3.11
Rot. Bonds

About (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol

(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol (PubChem CID 3033053) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
PubChem CID3033053
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
SMILESC[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N
InChIInChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1
InChIKeyVTMVHDZWSFQSQP-VBNZEHGJSA-N
XLogP3.11
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol with MolForge

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Related Compounds

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Talwin
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Phenazocine
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Cyclazocine
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7-hydroxy-2-(di-N-propylamino)tetralin
CID 1219
Cyclazocine, (-)-
CID 3037926
(+)-Pentazocine
CID 12259685
Phenazocine, (-)-
CID 443405
Pentazocine Hydrochloride
CID 441277
(-)-3-Hydroxymorphinan
CID 5463854
3-Hydroxymorphinan
CID 519103
Metazocine
CID 443404

Frequently Asked Questions

What is the IUPAC name of (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol (CID 3033053) is (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol is C[C@@]12CCCCC[C@@H](Cc3ccc(O)cc31)[C@@H]2N.
What is the InChIKey of (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
The InChIKey is VTMVHDZWSFQSQP-VBNZEHGJSA-N. The full InChI is InChI=1S/C16H23NO/c1-16-8-4-2-3-5-12(15(16)17)9-11-6-7-13(18)10-14(11)16/h6-7,10,12,15,18H,2-5,8-9,17H2,1H3/t12-,15-,16+/m0/s1.
What are the key properties of (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol?
(1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol has a molecular weight of 245.37 g/mol, XLogP of 3.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9S,15S)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 3033053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).