(5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline

C18H29N — CID 90766013

IUPAC(5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline
SMILESCC1=NC2CCC(C)(C)C3C[C@H](C)C(C)C(=C1)[C@@]23C
InChIInChI=1S/C18H29N/c1-11-9-15-17(4,5)8-7-16-18(15,6)14(13(11)3)10-12(2)19-16/h10-11,13,15-16H,7-9H2,1-6H3/t11-,13?,15?,16?,18+/m0/s1
InChIKeyCCSVIGFVFFKBEO-BVYWKXBDSA-N
MW259.44 g/mol
LogP4.87
Rot. Bonds

About (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline

(5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline (PubChem CID 90766013) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline.

Molecular Properties

Compound Name(5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline
PubChem CID90766013
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name(5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline
SMILESCC1=NC2CCC(C)(C)C3C[C@H](C)C(C)C(=C1)[C@@]23C
InChIInChI=1S/C18H29N/c1-11-9-15-17(4,5)8-7-16-18(15,6)14(13(11)3)10-12(2)19-16/h10-11,13,15-16H,7-9H2,1-6H3/t11-,13?,15?,16?,18+/m0/s1
InChIKeyCCSVIGFVFFKBEO-BVYWKXBDSA-N
XLogP4.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline 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

N-cyclohexyl-4a-methyl-3,4,5,6,7,8-hexahydronaphthalen-2-imine
CID 135050320
(1S,8S)-4-(cyclobuten-1-yl)-2-ethyl-1,8-dimethyl-3-azabicyclo[5.3.1]undec-3-ene
CID 173951379
(4aR,7aS,11aR,14aS)-3,3,7,7,10,10,14,14-octamethyl-1,2,4,4a,7a,8,9,11,11a,14a-decahydroquinolino[2,3-b]acridine
CID 10363995
(4S,4aR)-4a,7,8-trimethyl-4-(6-methylhept-5-en-2-yl)-3,4,5,6,7,8-hexahydro-2H-quinoline
CID 10851010
(4aS,7aR,11aS,14aR)-3,3,7,7,10,10,14,14-octamethyl-1,2,4,4a,7a,8,9,11,11a,14a-decahydroquinolino[2,3-b]acridine
CID 102329831

Frequently Asked Questions

What is the IUPAC name of (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline?
The IUPAC name of (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline (CID 90766013) is (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline.
What is the SMILES notation for (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline?
The canonical SMILES for (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline is CC1=NC2CCC(C)(C)C3C[C@H](C)C(C)C(=C1)[C@@]23C.
What is the InChIKey of (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline?
The InChIKey is CCSVIGFVFFKBEO-BVYWKXBDSA-N. The full InChI is InChI=1S/C18H29N/c1-11-9-15-17(4,5)8-7-16-18(15,6)14(13(11)3)10-12(2)19-16/h10-11,13,15-16H,7-9H2,1-6H3/t11-,13?,15?,16?,18+/m0/s1.
What are the key properties of (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline?
(5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline has a molecular weight of 259.44 g/mol, XLogP of 4.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9bS)-2,4,5,7,7,9b-hexamethyl-5,6,6a,8,9,9a-hexahydro-4H-benzo[de]quinoline is sourced from PubChem (CID 90766013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).