ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole

C16H24N2 — CID 142960260

IUPACethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
SMILESCC.Cc1ccc2[nH]c3c(c2c1)CCCNCC3
InChIInChI=1S/C14H18N2.C2H6/c1-10-4-5-13-12(9-10)11-3-2-7-15-8-6-14(11)16-13;1-2/h4-5,9,15-16H,2-3,6-8H2,1H3;1-2H3
InChIKeySSFGVIKVZIVLPT-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.58
Rot. Bonds

About ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole

ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole (PubChem CID 142960260) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole.

Molecular Properties

Compound Nameethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
PubChem CID142960260
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Nameethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
SMILESCC.Cc1ccc2[nH]c3c(c2c1)CCCNCC3
InChIInChI=1S/C14H18N2.C2H6/c1-10-4-5-13-12(9-10)11-3-2-7-15-8-6-14(11)16-13;1-2/h4-5,9,15-16H,2-3,6-8H2,1H3;1-2H3
InChIKeySSFGVIKVZIVLPT-UHFFFAOYSA-N
XLogP3.58
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole
CID 4770206
9-(2,4-dimethylphenyl)-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 23528976
6-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole;hydrochloride
CID 19807228
2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole
CID 15192091
8-methyl-1,2,3,5-tetrahydrocyclopenta[c]quinolin-4-one
CID 22462487
6-methyl-3-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole
CID 65335228
2-methyl-5,6,7,8,9,10-hexahydrocyclohepta[b]indol-6-ol
CID 2874344
8-methyl-2-phenyl-1,3,4,5-tetrahydrophosphinino[4,3-b]indole
CID 44726115
6-methyl-2,3,4,9-tetrahydropyrano[2,3-b]indole
CID 172623216
2-cyclopropyl-8-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 66612137
9-pyridin-4-yl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indole
CID 21129383
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-3-ol
CID 2849427

Frequently Asked Questions

What is the IUPAC name of ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
The IUPAC name of ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole (CID 142960260) is ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole.
What is the SMILES notation for ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
The canonical SMILES for ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole is CC.Cc1ccc2[nH]c3c(c2c1)CCCNCC3.
What is the InChIKey of ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
The InChIKey is SSFGVIKVZIVLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2.C2H6/c1-10-4-5-13-12(9-10)11-3-2-7-15-8-6-14(11)16-13;1-2/h4-5,9,15-16H,2-3,6-8H2,1H3;1-2H3.
What are the key properties of ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole?
ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole has a molecular weight of 244.38 g/mol, XLogP of 3.58, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-methyl-2,3,4,5,6,11-hexahydro-1H-azocino[4,5-b]indole is sourced from PubChem (CID 142960260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).