3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol

C19H27NO — CID 123799960

IUPAC3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol
SMILESCc1cccc2c1C13CCN(C)C(C2)C1(O)CCCC3C
InChIInChI=1S/C19H27NO/c1-13-6-4-8-15-12-16-19(21)9-5-7-14(2)18(19,17(13)15)10-11-20(16)3/h4,6,8,14,16,21H,5,7,9-12H2,1-3H3
InChIKeyDGHYHQNAHFLOCU-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.04
Rot. Bonds

About 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol

3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol (PubChem CID 123799960) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol.

Molecular Properties

Compound Name3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol
PubChem CID123799960
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol
SMILESCc1cccc2c1C13CCN(C)C(C2)C1(O)CCCC3C
InChIInChI=1S/C19H27NO/c1-13-6-4-8-15-12-16-19(21)9-5-7-14(2)18(19,17(13)15)10-11-20(16)3/h4,6,8,14,16,21H,5,7,9-12H2,1-3H3
InChIKeyDGHYHQNAHFLOCU-UHFFFAOYSA-N
XLogP3.04
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S,4aR,12bR)-3,9-dimethyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 126501245
(1S,9R,10S,15R)-13-(1,3-dioxolan-2-yl)-18-methyl-14-oxa-18-azapentacyclo[7.6.3.01,10.02,7.013,15]octadeca-2,4,6-trien-10-ol;fluoroform
CID 174602879
(4S,4aR,7aS,12bR)-4a-hydroxy-3,9-dimethyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 58111518
3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
CID 627484
(4aS,7R,7aR,12bS)-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
CID 44552759
(4R,4aS,7S,7aR,12bS)-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7,9-triol
CID 5463858
(4R,4aS,7aR,12bS)-9-fluoro-4a-hydroxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one
CID 46852831
(4aS,7aR)-7-amino-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
CID 145145877
(4aS,7aR)-3-methyl-7-(propan-2-ylamino)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
CID 146231490
(4aS,7S,7aR,12bS)-3-methyl-7-(propan-2-ylamino)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,9-diol
CID 140898045
(4R,4aS,7aS,12bS)-3-(cyclopropylmethyl)-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-ol
CID 170963480
(4R,4aS,7S,7aR,12bS)-9-methoxy-3-methyl-1,2,4,5,6,7,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-4a,7-diol;hydrochloride
CID 91758321

Frequently Asked Questions

What is the IUPAC name of 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol?
The IUPAC name of 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol (CID 123799960) is 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol.
What is the SMILES notation for 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol?
The canonical SMILES for 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol is Cc1cccc2c1C13CCN(C)C(C2)C1(O)CCCC3C.
What is the InChIKey of 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol?
The InChIKey is DGHYHQNAHFLOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-13-6-4-8-15-12-16-19(21)9-5-7-14(2)18(19,17(13)15)10-11-20(16)3/h4,6,8,14,16,21H,5,7,9-12H2,1-3H3.
What are the key properties of 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol?
3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol has a molecular weight of 285.43 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,14,17-trimethyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol is sourced from PubChem (CID 123799960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).