8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium

C18H32N+ — CID 57039516

IUPAC8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium
SMILESCCCC(CC)[C+]1CCCC2C1NC1CCCCC12
InChIInChI=1S/C18H32N/c1-3-8-13(4-2)14-10-7-11-16-15-9-5-6-12-17(15)19-18(14)16/h13,15-19H,3-12H2,1-2H3/q+1
InChIKeyDAQLCLNXIFJFIC-UHFFFAOYSA-N
MW262.46 g/mol
LogP4.72
Rot. Bonds4

About 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium

8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium (PubChem CID 57039516) has the molecular formula C18H32N+ and a molecular weight of 262.46 g/mol. Its IUPAC name is 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium.

Molecular Properties

Compound Name8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium
PubChem CID57039516
Molecular FormulaC18H32N+
Molecular Weight262.46 g/mol
Exact Mass262.25
IUPAC Name8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium
SMILESCCCC(CC)[C+]1CCCC2C1NC1CCCCC12
InChIInChI=1S/C18H32N/c1-3-8-13(4-2)14-10-7-11-16-15-9-5-6-12-17(15)19-18(14)16/h13,15-19H,3-12H2,1-2H3/q+1
InChIKeyDAQLCLNXIFJFIC-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.46
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 95732
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CID 524505
2-methyl-octahydro-1H-indole
CID 15741630
2-(2,2-Dicyclohexylethyl)pyrrolidine--hydrogen chloride (1/1)
CID 3047555
2-(propan-2-yl)-N-[2-(propan-2-yl)cyclohexyl]cyclohexan-1-amine
CID 50986555
(2R,3aS,7aS)-2-methyl-octahydro-1H-indole hydrochloride
CID 155821997
Perhydroethylcarbazole
CID 66624953
perhydro-N-butylcarbazole
CID 102132768
2-(2,2-Dicyclohexylethyl)pyrrolidine
CID 3047556
5-fluoro-2,3-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 90345950
5-fluoro-3-methyl-2-propan-2-yl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 140573471
(7R)-5-fluoro-7-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indole
CID 146550491

Frequently Asked Questions

What is the IUPAC name of 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium?
The IUPAC name of 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium (CID 57039516) is 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium.
What is the SMILES notation for 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium?
The canonical SMILES for 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium is CCCC(CC)[C+]1CCCC2C1NC1CCCCC12.
What is the InChIKey of 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium?
The InChIKey is DAQLCLNXIFJFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N/c1-3-8-13(4-2)14-10-7-11-16-15-9-5-6-12-17(15)19-18(14)16/h13,15-19H,3-12H2,1-2H3/q+1.
What are the key properties of 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium?
8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium has a molecular weight of 262.46 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hexan-3-yl-1,2,3,4,4a,4b,5,6,7,8a,9,9a-dodecahydrocarbazol-8-ylium is sourced from PubChem (CID 57039516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).