(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol

C16H22N2O — CID 102243444

IUPAC(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol
SMILESC[C@@H]1C[C@@H]2Cc3ncccc3[C@@]3(C1)NCCC(O)[C@H]23
InChIInChI=1S/C16H22N2O/c1-10-7-11-8-13-12(3-2-5-17-13)16(9-10)15(11)14(19)4-6-18-16/h2-3,5,10-11,14-15,18-19H,4,6-9H2,1H3/t10-,11-,14?,15+,16-/m1/s1
InChIKeyUPDSILBIMXVIPG-IWSOBLICSA-N
MW258.36 g/mol
LogP1.85
Rot. Bonds

About (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol

(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol (PubChem CID 102243444) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol.

Molecular Properties

Compound Name(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol
PubChem CID102243444
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol
SMILESC[C@@H]1C[C@@H]2Cc3ncccc3[C@@]3(C1)NCCC(O)[C@H]23
InChIInChI=1S/C16H22N2O/c1-10-7-11-8-13-12(3-2-5-17-13)16(9-10)15(11)14(19)4-6-18-16/h2-3,5,10-11,14-15,18-19H,4,6-9H2,1H3/t10-,11-,14?,15+,16-/m1/s1
InChIKeyUPDSILBIMXVIPG-IWSOBLICSA-N
XLogP1.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol with MolForge

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Related Compounds

(5aR,7R,8aR)-7-methyl-5,5a,6,7,8,8a-hexahydropentaleno[2,1-b]pyridine
CID 154715452
3,5-dimethyl-1-quinolin-5-ylcyclohexan-1-amine
CID 81216239
5,5,6-trimethyl-7,8-dihydro-6H-quinoline
CID 143150763
(2S,6S)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
CID 11147878
(2R,6R)-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene;dihydrochloride
CID 66588869
ethane;(7S)-7-methyl-5,6,7,8-tetrahydroquinoline
CID 143143665
ethane;6-methyl-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 90875415
1-[(2-amino-3-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-ol
CID 64734968
(6R)-3-methyl-3,9-diazatricyclo[6.4.0.02,6]dodeca-1(8),9,11-triene
CID 68800251
3,5-dimethyl-1-(5,6,7,8-tetrahydroquinolin-8-yl)cyclohexan-1-amine
CID 79745397
(6R)-6,7,8,9,9a,10-hexahydro-5aH-chromeno[3,2-b]pyridin-6-ol
CID 121014254
8-methyl-3-quinolin-5-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955990

Frequently Asked Questions

What is the IUPAC name of (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol?
The IUPAC name of (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol (CID 102243444) is (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol.
What is the SMILES notation for (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol?
The canonical SMILES for (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol is C[C@@H]1C[C@@H]2Cc3ncccc3[C@@]3(C1)NCCC(O)[C@H]23.
What is the InChIKey of (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol?
The InChIKey is UPDSILBIMXVIPG-IWSOBLICSA-N. The full InChI is InChI=1S/C16H22N2O/c1-10-7-11-8-13-12(3-2-5-17-13)16(9-10)15(11)14(19)4-6-18-16/h2-3,5,10-11,14-15,18-19H,4,6-9H2,1H3/t10-,11-,14?,15+,16-/m1/s1.
What are the key properties of (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol?
(1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol has a molecular weight of 258.36 g/mol, XLogP of 1.85, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,9R,10R,16R)-16-methyl-6,14-diazatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-11-ol is sourced from PubChem (CID 102243444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).