(15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol

C21H31NO — CID 144550017

IUPAC(15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol
SMILESCCCN1CC2Cc3ccc(O)cc3C23C[C@@H](C)CC3(C)C1C
InChIInChI=1S/C21H31NO/c1-5-8-22-13-17-9-16-6-7-18(23)10-19(16)21(17)12-14(2)11-20(21,4)15(22)3/h6-7,10,14-15,17,23H,5,8-9,11-13H2,1-4H3/t14-,15?,17?,20?,21?/m0/s1
InChIKeyKPYLEHOSCGPZSQ-VUTWKYMGSA-N
MW313.49 g/mol
LogP4.35
Rot. Bonds2

About (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol

(15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol (PubChem CID 144550017) has the molecular formula C21H31NO and a molecular weight of 313.49 g/mol. Its IUPAC name is (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name(15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol
PubChem CID144550017
Molecular FormulaC21H31NO
Molecular Weight313.49 g/mol
Exact Mass313.24
IUPAC Name(15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol
SMILESCCCN1CC2Cc3ccc(O)cc3C23C[C@@H](C)CC3(C)C1C
InChIInChI=1S/C21H31NO/c1-5-8-22-13-17-9-16-6-7-18(23)10-19(16)21(17)12-14(2)11-20(21,4)15(22)3/h6-7,10,14-15,17,23H,5,8-9,11-13H2,1-4H3/t14-,15?,17?,20?,21?/m0/s1
InChIKeyKPYLEHOSCGPZSQ-VUTWKYMGSA-N
XLogP4.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.49
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol?
The IUPAC name of (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol (CID 144550017) is (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol?
The canonical SMILES for (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol is CCCN1CC2Cc3ccc(O)cc3C23C[C@@H](C)CC3(C)C1C.
What is the InChIKey of (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol?
The InChIKey is KPYLEHOSCGPZSQ-VUTWKYMGSA-N. The full InChI is InChI=1S/C21H31NO/c1-5-8-22-13-17-9-16-6-7-18(23)10-19(16)21(17)12-14(2)11-20(21,4)15(22)3/h6-7,10,14-15,17,23H,5,8-9,11-13H2,1-4H3/t14-,15?,17?,20?,21?/m0/s1.
What are the key properties of (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol?
(15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol has a molecular weight of 313.49 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (15R)-12,13,15-trimethyl-11-propyl-11-azatetracyclo[7.7.0.01,13.02,7]hexadeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 144550017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).