5-nonyl-1,2,3,4-tetrahydroisoquinoline

C18H29N — CID 106778358

IUPAC5-nonyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCCCCCCCc1cccc2c1CCNC2
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-7-8-10-16-11-9-12-17-15-19-14-13-18(16)17/h9,11-12,19H,2-8,10,13-15H2,1H3
InChIKeyHCWGZLUNOCPDRF-UHFFFAOYSA-N
MW259.44 g/mol
LogP4.63
Rot. Bonds8

About 5-nonyl-1,2,3,4-tetrahydroisoquinoline

5-nonyl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 106778358) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is 5-nonyl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-nonyl-1,2,3,4-tetrahydroisoquinoline
PubChem CID106778358
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC Name5-nonyl-1,2,3,4-tetrahydroisoquinoline
SMILESCCCCCCCCCc1cccc2c1CCNC2
InChIInChI=1S/C18H29N/c1-2-3-4-5-6-7-8-10-16-11-9-12-17-15-19-14-13-18(16)17/h9,11-12,19H,2-8,10,13-15H2,1H3
InChIKeyHCWGZLUNOCPDRF-UHFFFAOYSA-N
XLogP4.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-nonyl-1,2,3,4-tetrahydroisoquinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-ol
CID 105445306
6-butyl-2,3,4,5-tetrahydro-1H-3-benzazepine;ethane
CID 142198128
N-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propan-1-amine
CID 115105041
5-(ethoxymethyl)-1,2,3,4-tetrahydroisoquinoline
CID 54421275
3-(1,2,3,4-tetrahydroisoquinolin-5-yl)propanamide
CID 115105046
1-(1,2,3,4-tetrahydroisoquinolin-5-yl)pentan-1-one
CID 116612471
N-ethyl-N-methyl-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 81215567
5-[(4-methylpiperazin-1-yl)methyl]-1,2,3,4-tetrahydroisoquinoline
CID 20825799
1-dodecyl-2-hexylbenzene
CID 19371073
1-nonyl-2-pentylbenzene
CID 54050070
1-hexadecyl-2-pentylbenzene
CID 53438584
1,2-di(nonadecyl)benzene
CID 101289987

Frequently Asked Questions

What is the IUPAC name of 5-nonyl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-nonyl-1,2,3,4-tetrahydroisoquinoline (CID 106778358) is 5-nonyl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-nonyl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-nonyl-1,2,3,4-tetrahydroisoquinoline is CCCCCCCCCc1cccc2c1CCNC2.
What is the InChIKey of 5-nonyl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HCWGZLUNOCPDRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-4-5-6-7-8-10-16-11-9-12-17-15-19-14-13-18(16)17/h9,11-12,19H,2-8,10,13-15H2,1H3.
What are the key properties of 5-nonyl-1,2,3,4-tetrahydroisoquinoline?
5-nonyl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 259.44 g/mol, XLogP of 4.63, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 106778358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).