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

C16H24ClNO — CID 71577923

IUPAC(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
SMILESC[C@@]12CCCCC[C@H](Cc3ccc(O)cc31)[C@H]2N.Cl
InChIInChI=1S/C16H23NO.ClH/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;1H/t12-,15-,16-;/m1./s1
InChIKeyMILIRSCIUZNHAN-HERUEXBKSA-N
MW281.83 g/mol
LogP3.54
Rot. Bonds

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

(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride (PubChem CID 71577923) has the molecular formula C16H24ClNO and a molecular weight of 281.83 g/mol. Its IUPAC name is (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride.

Molecular Properties

Compound Name(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
PubChem CID71577923
Molecular FormulaC16H24ClNO
Molecular Weight281.83 g/mol
Exact Mass281.15
IUPAC Name(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride
SMILESC[C@@]12CCCCC[C@H](Cc3ccc(O)cc31)[C@H]2N.Cl
InChIInChI=1S/C16H23NO.ClH/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;1H/t12-,15-,16-;/m1./s1
InChIKeyMILIRSCIUZNHAN-HERUEXBKSA-N
XLogP3.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,9S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]methanol
CID 153437146
(1S,9S,15R)-15-amino-1-methyl-12-oxatricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492274
(1R,15S)-15-(dimethylamino)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 70637689
15-amino-1,5-dimethyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol
CID 139492163
(1R,9S,15S)-1-methyl-4-phenylmethoxytricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 155036156
15-amino-6-ethyl-1-methyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
CID 139492239
15-amino-1-methyl-6-phenyltricyclo[7.5.1.02,7]pentadeca-2,4,6-trien-4-ol
CID 139492246
(1R,9S,15S)-4-(2-methoxypropan-2-yloxy)-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 138672478
1-O-[(1R,9S,16S)-16-amino-1-methyl-4-tricyclo[7.6.1.02,7]hexadeca-2(7),3,5-trienyl] 6-O-[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl] hexanedioate
CID 139492319
(1R,9S,16S)-1-methyl-4-(propan-2-yloxymethoxy)tricyclo[7.6.1.02,7]hexadeca-2(7),3,5-trien-16-amine
CID 142351095
(1R,9S,15S)-1-methyl-4-(propan-2-yloxymethoxy)tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-15-amine
CID 138672240
[(1R,9S,15S)-15-amino-1-methyl-4-tricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trienyl]oxymethyl 2,2-dimethylpropanoate
CID 138672555

Frequently Asked Questions

What is the IUPAC name of (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride?
The IUPAC name of (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride (CID 71577923) is (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride.
What is the SMILES notation for (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride?
The canonical SMILES for (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride is C[C@@]12CCCCC[C@H](Cc3ccc(O)cc31)[C@H]2N.Cl.
What is the InChIKey of (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride?
The InChIKey is MILIRSCIUZNHAN-HERUEXBKSA-N. The full InChI is InChI=1S/C16H23NO.ClH/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;1H/t12-,15-,16-;/m1./s1.
What are the key properties of (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride?
(1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride has a molecular weight of 281.83 g/mol, XLogP of 3.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,9R,15R)-15-amino-1-methyltricyclo[7.5.1.02,7]pentadeca-2(7),3,5-trien-4-ol;hydrochloride is sourced from PubChem (CID 71577923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).