2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine

C24H37N — CID 163084295

IUPAC2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
SMILESC=C(C)C1CCC2(C)CC(C3CCC4CCCC4(C)N3)=CC(C)=C2C1
InChIInChI=1S/C24H37N/c1-16(2)18-10-12-23(4)15-19(13-17(3)21(23)14-18)22-9-8-20-7-6-11-24(20,5)25-22/h13,18,20,22,25H,1,6-12,14-15H2,2-5H3
InChIKeyJAYMTPLZGATILF-UHFFFAOYSA-N
MW339.57 g/mol
LogP6.33
Rot. Bonds2

About 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine

2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine (PubChem CID 163084295) has the molecular formula C24H37N and a molecular weight of 339.57 g/mol. Its IUPAC name is 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine.

Molecular Properties

Compound Name2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
PubChem CID163084295
Molecular FormulaC24H37N
Molecular Weight339.57 g/mol
Exact Mass339.29
IUPAC Name2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine
SMILESC=C(C)C1CCC2(C)CC(C3CCC4CCCC4(C)N3)=CC(C)=C2C1
InChIInChI=1S/C24H37N/c1-16(2)18-10-12-23(4)15-19(13-17(3)21(23)14-18)22-9-8-20-7-6-11-24(20,5)25-22/h13,18,20,22,25H,1,6-12,14-15H2,2-5H3
InChIKeyJAYMTPLZGATILF-UHFFFAOYSA-N
XLogP6.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

N-[[(6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl]methyl]cyclohexanamine
CID 163020780
2-[(1S,2R,5R,7R,10S,12R)-10-[(6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl]-12-methyl-11-azatetracyclo[8.2.2.01,5.07,12]tetradecan-2-yl]ethanol
CID 163066541
3-[(1S,4R,7S,8R)-1-[(6R,8aS)-4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl]-8-methyl-9-azatricyclo[5.2.2.04,8]undec-2-en-4-yl]propan-1-ol
CID 163095211
(4aR)-1,4a-dimethyl-7-prop-1-en-2-yl-3,4,5,6,7,8-hexahydronaphthalen-2-one
CID 5316284
14-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-16-methyl-15-azapentacyclo[12.2.2.01,9.02,7.011,16]octadec-17-en-4-ol
CID 162968937
(1,4a-dimethyl-3-oxo-7-prop-1-en-2-yl-2,4,5,6,7,8-hexahydronaphthalen-2-yl) acetate
CID 540645
(1S,2S,6R,8aR)-4,8a-dimethyl-6-prop-1-en-2-yl-2,3,5,6,7,8-hexahydro-1H-naphthalene-1,2-diol
CID 102496245
N-[(4,8a-dimethyl-6-prop-1-en-2-ylspiro[5,6,7,8-tetrahydronaphthalene-1,1'-cyclopentane]-2-yl)methyl]ethanamine
CID 162835006
CID 162829128
CID 162829128
4-(2,6-dimethyl-9-prop-1-en-2-yl-4-tetracyclo[7.6.1.01,12.02,7]hexadeca-4,6,10-trienyl)-13-(2-hydroxypropylamino)-2-methyl-3-azatetracyclo[7.7.0.02,7.011,16]hexadecan-14-ol
CID 163103222
(4R)-7-hydroxy-7-methyl-4-prop-1-en-2-yloxepan-2-one
CID 53297421
ethyl 3-[(3aS,6R)-3a-methyl-6-prop-1-en-2-yl-2,3,4,5,6,7-hexahydroinden-1-yl]-3-oxopropanoate
CID 11953569

Frequently Asked Questions

What is the IUPAC name of 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
The IUPAC name of 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine (CID 163084295) is 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine.
What is the SMILES notation for 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
The canonical SMILES for 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine is C=C(C)C1CCC2(C)CC(C3CCC4CCCC4(C)N3)=CC(C)=C2C1.
What is the InChIKey of 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
The InChIKey is JAYMTPLZGATILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N/c1-16(2)18-10-12-23(4)15-19(13-17(3)21(23)14-18)22-9-8-20-7-6-11-24(20,5)25-22/h13,18,20,22,25H,1,6-12,14-15H2,2-5H3.
What are the key properties of 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine?
2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine has a molecular weight of 339.57 g/mol, XLogP of 6.33, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,8a-dimethyl-6-prop-1-en-2-yl-5,6,7,8-tetrahydro-1H-naphthalen-2-yl)-7a-methyl-1,2,3,4,4a,5,6,7-octahydrocyclopenta[b]pyridine is sourced from PubChem (CID 163084295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).