2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine

C17H28N2 — CID 43130422

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-2-3-4-5-10-17(13-18)19-12-11-15-8-6-7-9-16(15)14-19/h6-9,17H,2-5,10-14,18H2,1H3
InChIKeyWXSXLRVJGBADOL-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.34
Rot. Bonds7

About 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine

2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine (PubChem CID 43130422) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
PubChem CID43130422
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
SMILESCCCCCCC(CN)N1CCc2ccccc2C1
InChIInChI=1S/C17H28N2/c1-2-3-4-5-10-17(13-18)19-12-11-15-8-6-7-9-16(15)14-19/h6-9,17H,2-5,10-14,18H2,1H3
InChIKeyWXSXLRVJGBADOL-UHFFFAOYSA-N
XLogP3.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-(2-pentylnonoxy)propyl] sulfate
CID 87405487
1-dodecan-6-yl-2,3-dihydroindole
CID 139359404
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
1-(3,4-dihydro-1H-isoquinolin-2-yl)hexan-2-amine
CID 60854585
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
methyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 112688849
2-(azocan-1-yl)nonan-1-amine
CID 43130470
bis[2-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-(2-hexoxyethoxy)ethoxy]propyl] sulfate
CID 87961760
2-(2-methyl-2,3-dihydroindol-1-yl)octan-1-amine
CID 43130428

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine (CID 43130422) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine is CCCCCCC(CN)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine?
The InChIKey is WXSXLRVJGBADOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-4-5-10-17(13-18)19-12-11-15-8-6-7-9-16(15)14-19/h6-9,17H,2-5,10-14,18H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine is sourced from PubChem (CID 43130422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).