4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine

C26H45N2+ — CID 5035296

IUPAC4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
SMILESCCCCCCCCCCCCCC[n+]1c2c(c(N)c3c1CCC3)CCCC2
InChIInChI=1S/C26H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-28-24-19-14-13-17-22(24)26(27)23-18-16-20-25(23)28/h27H,2-21H2,1H3/p+1
InChIKeyPGKDJYQLKOMVTI-UHFFFAOYSA-O
MW385.66 g/mol
LogP6.62
Rot. Bonds13

About 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine

4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine (PubChem CID 5035296) has the molecular formula C26H45N2+ and a molecular weight of 385.66 g/mol. Its IUPAC name is 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine.

Molecular Properties

Compound Name4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
PubChem CID5035296
Molecular FormulaC26H45N2+
Molecular Weight385.66 g/mol
Exact Mass385.36
IUPAC Name4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine
SMILESCCCCCCCCCCCCCC[n+]1c2c(c(N)c3c1CCC3)CCCC2
InChIInChI=1S/C26H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-28-24-19-14-13-17-22(24)26(27)23-18-16-20-25(23)28/h27H,2-21H2,1H3/p+1
InChIKeyPGKDJYQLKOMVTI-UHFFFAOYSA-O
XLogP6.62
TPSA29.90 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.66
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine with MolForge

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Related Compounds

cyclopentanone;heptane
CID 20975482
cyclopropane;octadecane
CID 174865519
cyclopropane;icosane
CID 162221728
1,2-dihexylcyclohexene
CID 19795043
1-decylpyridin-1-ium-4-amine bromide
CID 44656372
hydrazine;pentadecane
CID 174880620
methanamine;tris(octane)
CID 173014836
heptadecane;hydrazine
CID 174880698
decane;methanamine
CID 159574300
methanamine;octane
CID 174301406
methanamine;nonane
CID 155694820
5-hexyl-4,7-dimethyl-2,3-dihydro-1H-indene
CID 90895714

Frequently Asked Questions

What is the IUPAC name of 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
The IUPAC name of 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine (CID 5035296) is 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine.
What is the SMILES notation for 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
The canonical SMILES for 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine is CCCCCCCCCCCCCC[n+]1c2c(c(N)c3c1CCC3)CCCC2.
What is the InChIKey of 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
The InChIKey is PGKDJYQLKOMVTI-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H44N2/c1-2-3-4-5-6-7-8-9-10-11-12-15-21-28-24-19-14-13-17-22(24)26(27)23-18-16-20-25(23)28/h27H,2-21H2,1H3/p+1.
What are the key properties of 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine?
4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine has a molecular weight of 385.66 g/mol, XLogP of 6.62, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tetradecyl-2,3,5,6,7,8-hexahydro-1H-cyclopenta[b]quinolin-4-ium-9-amine is sourced from PubChem (CID 5035296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).