(1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

C17H25NO — CID 70822651

IUPAC(1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCC(C)N1CC(C)[C@@]2(C)CC1Cc1ccc(O)cc12
InChIInChI=1S/C17H25NO/c1-11(2)18-10-12(3)17(4)9-14(18)7-13-5-6-15(19)8-16(13)17/h5-6,8,11-12,14,19H,7,9-10H2,1-4H3/t12?,14?,17-/m1/s1
InChIKeyCHGXPXNXVJQSRL-MKTAYPAQSA-N
MW259.39 g/mol
LogP3.32
Rot. Bonds1

About (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol

(1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (PubChem CID 70822651) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
PubChem CID70822651
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name(1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
SMILESCC(C)N1CC(C)[C@@]2(C)CC1Cc1ccc(O)cc12
InChIInChI=1S/C17H25NO/c1-11(2)18-10-12(3)17(4)9-14(18)7-13-5-6-15(19)8-16(13)17/h5-6,8,11-12,14,19H,7,9-10H2,1-4H3/t12?,14?,17-/m1/s1
InChIKeyCHGXPXNXVJQSRL-MKTAYPAQSA-N
XLogP3.32
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The IUPAC name of (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol (CID 70822651) is (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The canonical SMILES for (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is CC(C)N1CC(C)[C@@]2(C)CC1Cc1ccc(O)cc12.
What is the InChIKey of (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
The InChIKey is CHGXPXNXVJQSRL-MKTAYPAQSA-N. The full InChI is InChI=1S/C17H25NO/c1-11(2)18-10-12(3)17(4)9-14(18)7-13-5-6-15(19)8-16(13)17/h5-6,8,11-12,14,19H,7,9-10H2,1-4H3/t12?,14?,17-/m1/s1.
What are the key properties of (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol?
(1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol has a molecular weight of 259.39 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1,12-dimethyl-10-propan-2-yl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 70822651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).