9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium

C17H31IN+ — CID 171320902

IUPAC9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium
SMILESICCCCC[NH+]1C2CCCCC2C2CCCCC21
InChIInChI=1S/C17H30IN/c18-12-6-1-7-13-19-16-10-4-2-8-14(16)15-9-3-5-11-17(15)19/h14-17H,1-13H2/p+1
InChIKeyFPQHDVORWLNEBB-UHFFFAOYSA-O
MW376.35 g/mol
LogP3.61
Rot. Bonds5

About 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium

9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium (PubChem CID 171320902) has the molecular formula C17H31IN+ and a molecular weight of 376.35 g/mol. Its IUPAC name is 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium.

Molecular Properties

Compound Name9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium
PubChem CID171320902
Molecular FormulaC17H31IN+
Molecular Weight376.35 g/mol
Exact Mass376.15
IUPAC Name9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium
SMILESICCCCC[NH+]1C2CCCCC2C2CCCCC21
InChIInChI=1S/C17H30IN/c18-12-6-1-7-13-19-16-10-4-2-8-14(16)15-9-3-5-11-17(15)19/h14-17H,1-13H2/p+1
InChIKeyFPQHDVORWLNEBB-UHFFFAOYSA-O
XLogP3.61
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.35
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,11-diiodoundecane
CID 4060847
3-iodopropylcyclopentane
CID 15508337
5-bromopentylcyclohexane;5-iodopentylcyclohexane
CID 160945423
2-(18-iodooctadecoxy)oxane
CID 86124950
3-[(4R,4aS,8aS)-4-hydroxy-1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-1-ium-1-yl]propyl-dimethylazanium
CID 11898964
(1S,2S,6R,7R)-tricyclo[5.4.0.02,6]undecane
CID 101375325
7-methylbicyclo[4.1.0]heptane;propane
CID 143683188
ethoxymethoxymethoxyethane;6-iodohexylcyclopropane
CID 175225188
N-(5-iodopentyl)cyclobutanecarboxamide
CID 107322514
N-(4-iodobutyl)cyclooctanecarboxamide
CID 106846142
dichloro(15-iodopentadecyl)silane
CID 173136162
2-(9-iodononyl)-1,3-dioxolane
CID 10496328

Frequently Asked Questions

What is the IUPAC name of 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium?
The IUPAC name of 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium (CID 171320902) is 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium.
What is the SMILES notation for 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium?
The canonical SMILES for 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium is ICCCCC[NH+]1C2CCCCC2C2CCCCC21.
What is the InChIKey of 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium?
The InChIKey is FPQHDVORWLNEBB-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H30IN/c18-12-6-1-7-13-19-16-10-4-2-8-14(16)15-9-3-5-11-17(15)19/h14-17H,1-13H2/p+1.
What are the key properties of 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium?
9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium has a molecular weight of 376.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-iodopentyl)-2,3,4,4a,4b,5,6,7,8,8a,9,9a-dodecahydro-1H-carbazol-9-ium is sourced from PubChem (CID 171320902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).