(1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol

C14H19NO — CID 90679282

IUPAC(1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol
SMILESC[C@H]1C2Cc3ccccc3[C@@]1(O)CCN2C
InChIInChI=1S/C14H19NO/c1-10-13-9-11-5-3-4-6-12(11)14(10,16)7-8-15(13)2/h3-6,10,13,16H,7-9H2,1-2H3/t10-,13?,14+/m0/s1
InChIKeyVTWZNQOTPYUFTN-WOPFXOFLSA-N
MW217.31 g/mol
LogP1.77
Rot. Bonds

About (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol

(1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol (PubChem CID 90679282) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol.

Molecular Properties

Compound Name(1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol
PubChem CID90679282
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name(1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol
SMILESC[C@H]1C2Cc3ccccc3[C@@]1(O)CCN2C
InChIInChI=1S/C14H19NO/c1-10-13-9-11-5-3-4-6-12(11)14(10,16)7-8-15(13)2/h3-6,10,13,16H,7-9H2,1-2H3/t10-,13?,14+/m0/s1
InChIKeyVTWZNQOTPYUFTN-WOPFXOFLSA-N
XLogP1.77
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
The IUPAC name of (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol (CID 90679282) is (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol.
What is the SMILES notation for (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
The canonical SMILES for (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol is C[C@H]1C2Cc3ccccc3[C@@]1(O)CCN2C.
What is the InChIKey of (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
The InChIKey is VTWZNQOTPYUFTN-WOPFXOFLSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-13-9-11-5-3-4-6-12(11)14(10,16)7-8-15(13)2/h3-6,10,13,16H,7-9H2,1-2H3/t10-,13?,14+/m0/s1.
What are the key properties of (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
(1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol has a molecular weight of 217.31 g/mol, XLogP of 1.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,13S)-10,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol is sourced from PubChem (CID 90679282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).