2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol

C17H26N6O2 — CID 170396623

IUPAC2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol
SMILESCc1cnc2nc1N[C@H](C)CCOc1c(c(C)nn1C(C)(C)CO)N2
InChIInChI=1S/C17H26N6O2/c1-10-8-18-16-20-13-12(3)22-23(17(4,5)9-24)15(13)25-7-6-11(2)19-14(10)21-16/h8,11,24H,6-7,9H2,1-5H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyBQPCSHYIIBNKDS-LLVKDONJSA-N
MW346.44 g/mol
LogP2.34
Rot. Bonds2

About 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol

2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol (PubChem CID 170396623) has the molecular formula C17H26N6O2 and a molecular weight of 346.44 g/mol. Its IUPAC name is 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol
PubChem CID170396623
Molecular FormulaC17H26N6O2
Molecular Weight346.44 g/mol
Exact Mass346.21
IUPAC Name2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol
SMILESCc1cnc2nc1N[C@H](C)CCOc1c(c(C)nn1C(C)(C)CO)N2
InChIInChI=1S/C17H26N6O2/c1-10-8-18-16-20-13-12(3)22-23(17(4,5)9-24)15(13)25-7-6-11(2)19-14(10)21-16/h8,11,24H,6-7,9H2,1-5H3,(H2,18,19,20,21)/t11-/m1/s1
InChIKeyBQPCSHYIIBNKDS-LLVKDONJSA-N
XLogP2.34
TPSA97.12 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol?
The IUPAC name of 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol (CID 170396623) is 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol is Cc1cnc2nc1N[C@H](C)CCOc1c(c(C)nn1C(C)(C)CO)N2.
What is the InChIKey of 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol?
The InChIKey is BQPCSHYIIBNKDS-LLVKDONJSA-N. The full InChI is InChI=1S/C17H26N6O2/c1-10-8-18-16-20-13-12(3)22-23(17(4,5)9-24)15(13)25-7-6-11(2)19-14(10)21-16/h8,11,24H,6-7,9H2,1-5H3,(H2,18,19,20,21)/t11-/m1/s1.
What are the key properties of 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol?
2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol has a molecular weight of 346.44 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(11R)-4,11,14-trimethyl-8-oxa-2,5,6,12,16,17-hexazatricyclo[11.3.1.03,7]heptadeca-1(16),3(7),4,13(17),14-pentaen-6-yl]propan-1-ol is sourced from PubChem (CID 170396623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).