5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline

C18H29N — CID 73053139

IUPAC5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCCCCCc1cccc2c1CCCN2
InChIInChI=1S/C18H29N/c1-15(2)9-5-3-4-6-10-16-11-7-13-18-17(16)12-8-14-19-18/h7,11,13,15,19H,3-6,8-10,12,14H2,1-2H3
InChIKeyQKRGALGNFOCZRB-UHFFFAOYSA-N
MW259.44 g/mol
LogP5.19
Rot. Bonds7

About 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline

5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline (PubChem CID 73053139) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline
PubChem CID73053139
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline
SMILESCC(C)CCCCCCc1cccc2c1CCCN2
InChIInChI=1S/C18H29N/c1-15(2)9-5-3-4-6-10-16-11-7-13-18-17(16)12-8-14-19-18/h7,11,13,15,19H,3-6,8-10,12,14H2,1-2H3
InChIKeyQKRGALGNFOCZRB-UHFFFAOYSA-N
XLogP5.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline (CID 73053139) is 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline is CC(C)CCCCCCc1cccc2c1CCCN2.
What is the InChIKey of 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is QKRGALGNFOCZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-15(2)9-5-3-4-6-10-16-11-7-13-18-17(16)12-8-14-19-18/h7,11,13,15,19H,3-6,8-10,12,14H2,1-2H3.
What are the key properties of 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline?
5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 259.44 g/mol, XLogP of 5.19, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-methyloctyl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 73053139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).