(6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol

C25H37NO — CID 155175620

IUPAC(6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol
SMILESC=C/C=C(CNC)/C1=C/CCC23CC=C4CC(O)CCC42C3CCC1(C)C
InChIInChI=1S/C25H37NO/c1-5-7-18(17-26-4)21-8-6-12-24-14-9-19-16-20(27)10-15-25(19,24)22(24)11-13-23(21,2)3/h5,7-9,20,22,26-27H,1,6,10-17H2,2-4H3/b18-7+,21-8-
InChIKeyQQHGCDSUXFKJGT-PGINJLRJSA-N
MW367.58 g/mol
LogP5.32
Rot. Bonds4

About (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol

(6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol (PubChem CID 155175620) has the molecular formula C25H37NO and a molecular weight of 367.58 g/mol. Its IUPAC name is (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol.

Molecular Properties

Compound Name(6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol
PubChem CID155175620
Molecular FormulaC25H37NO
Molecular Weight367.58 g/mol
Exact Mass367.29
IUPAC Name(6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol
SMILESC=C/C=C(CNC)/C1=C/CCC23CC=C4CC(O)CCC42C3CCC1(C)C
InChIInChI=1S/C25H37NO/c1-5-7-18(17-26-4)21-8-6-12-24-14-9-19-16-20(27)10-15-25(19,24)22(24)11-13-23(21,2)3/h5,7-9,20,22,26-27H,1,6,10-17H2,2-4H3/b18-7+,21-8-
InChIKeyQQHGCDSUXFKJGT-PGINJLRJSA-N
XLogP5.32
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.58
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol?
The IUPAC name of (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol (CID 155175620) is (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol.
What is the SMILES notation for (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol?
The canonical SMILES for (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol is C=C/C=C(CNC)/C1=C/CCC23CC=C4CC(O)CCC42C3CCC1(C)C.
What is the InChIKey of (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol?
The InChIKey is QQHGCDSUXFKJGT-PGINJLRJSA-N. The full InChI is InChI=1S/C25H37NO/c1-5-7-18(17-26-4)21-8-6-12-24-14-9-19-16-20(27)10-15-25(19,24)22(24)11-13-23(21,2)3/h5,7-9,20,22,26-27H,1,6,10-17H2,2-4H3/b18-7+,21-8-.
What are the key properties of (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol?
(6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol has a molecular weight of 367.58 g/mol, XLogP of 5.32, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5,5-dimethyl-6-[(2Z)-1-(methylamino)penta-2,4-dien-2-yl]tetracyclo[8.7.0.01,13.02,10]heptadeca-6,12-dien-15-ol is sourced from PubChem (CID 155175620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).