(8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene

C23H35N — CID 123501414

IUPAC(8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene
SMILESCCCC/C=C1\CC(CC)C2=CC(CCC=C2)C2CC(C)CN=C12
InChIInChI=1S/C23H35N/c1-4-6-7-12-21-14-18(5-2)19-10-8-9-11-20(15-19)22-13-17(3)16-24-23(21)22/h8,10,12,15,17-18,20,22H,4-7,9,11,13-14,16H2,1-3H3/b21-12+
InChIKeyCLMXVWGWPSNGHO-CIAFOILYSA-N
MW325.54 g/mol
LogP6.52
Rot. Bonds4

About (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene

(8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene (PubChem CID 123501414) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene.

Molecular Properties

Compound Name(8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene
PubChem CID123501414
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name(8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene
SMILESCCCC/C=C1\CC(CC)C2=CC(CCC=C2)C2CC(C)CN=C12
InChIInChI=1S/C23H35N/c1-4-6-7-12-21-14-18(5-2)19-10-8-9-11-20(15-19)22-13-17(3)16-24-23(21)22/h8,10,12,15,17-18,20,22H,4-7,9,11,13-14,16H2,1-3H3/b21-12+
InChIKeyCLMXVWGWPSNGHO-CIAFOILYSA-N
XLogP6.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene 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

CID 6445873
CID 6445873
2H-1-Pyridine, 5-(1-butenyl)-3,4,6,7-tetrahydro-3-methyl-, hydrochloride, (E)-(+)-
CID 6445872
5-[(E)-but-1-enyl]-3-methyl-3,4,6,7-tetrahydro-2H-cyclopenta[b]pyridine
CID 162980508
18-Methyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 20160460
18-Ethyl-8-azatetracyclo[13.5.0.01,6.09,14]icosa-3,5,8,10,12,14-hexaene
CID 57196680
(11S)-3,11-dimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 68247545
7-(1-Cyclohexa-2,4-dien-1-yl-3-methylbutyl)-4-cyclohex-2-en-1-yl-2,8-dimethyl-3,4,4a,7,8,8a-hexahydroquinoline
CID 68332254
4-(2,4-dimethylpentyl)-6-ethyl-7-methyl-3,4-dihydro-2H-azepine
CID 70894676
(11S)-2,3,11-trimethyl-16-azabicyclo[10.3.1]hexadeca-1(16),14-diene
CID 70966118
6-Cyclohexa-2,4-dien-1-yl-3-[5-[10-(5-methyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 88488298
6-Cyclohexa-2,4-dien-1-yl-3-[5-[10-(5-ethyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-2,3-dihydropyridine
CID 88488311
3-[5-[10-(5-Ethyl-2,3-dihydronaphthalen-1-yl)-4a,9a-dihydroanthracen-9-yl]cyclohexa-1,5-dien-1-yl]-6-(1,2,5,6-tetrahydronaphthalen-1-yl)-2,3-dihydropyridine
CID 88488329

Frequently Asked Questions

What is the IUPAC name of (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene?
The IUPAC name of (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene (CID 123501414) is (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene.
What is the SMILES notation for (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene?
The canonical SMILES for (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene is CCCC/C=C1\CC(CC)C2=CC(CCC=C2)C2CC(C)CN=C12.
What is the InChIKey of (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene?
The InChIKey is CLMXVWGWPSNGHO-CIAFOILYSA-N. The full InChI is InChI=1S/C23H35N/c1-4-6-7-12-21-14-18(5-2)19-10-8-9-11-20(15-19)22-13-17(3)16-24-23(21)22/h8,10,12,15,17-18,20,22H,4-7,9,11,13-14,16H2,1-3H3/b21-12+.
What are the key properties of (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene?
(8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene has a molecular weight of 325.54 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-10-ethyl-4-methyl-8-pentylidene-6-azatricyclo[9.4.1.02,7]hexadeca-6,11(16),12-triene is sourced from PubChem (CID 123501414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).