5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine

C18H30N2 — CID 62424621

IUPAC5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCN1CCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-16(2)14-19-11-6-3-7-12-20-13-10-17-8-4-5-9-18(17)15-20/h4-5,8-9,16,19H,3,6-7,10-15H2,1-2H3
InChIKeyVDWAYYLBAYRYMY-UHFFFAOYSA-N
MW274.45 g/mol
LogP3.46
Rot. Bonds8

About 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine

5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 62424621) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID62424621
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCCCN1CCc2ccccc2C1
InChIInChI=1S/C18H30N2/c1-16(2)14-19-11-6-3-7-12-20-13-10-17-8-4-5-9-18(17)15-20/h4-5,8-9,16,19H,3,6-7,10-15H2,1-2H3
InChIKeyVDWAYYLBAYRYMY-UHFFFAOYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.46
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

4-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)butan-1-amine
CID 55070080
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-(2-methylpropyl)butan-1-amine
CID 55069879
2-(6-methylheptyl)-3,4-dihydro-1H-isoquinoline
CID 59001097
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]pentan-1-amine
CID 62573872
2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3,4-dihydro-1H-isoquinoline;dihydrobromide
CID 131883166
2-undecyl-3,4-dihydro-1H-isoquinoline
CID 76900260
4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 114413207
2-pentyl-3,4-dihydro-1H-isoquinoline
CID 24138
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[2-[2-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexylamino]ethyldisulfanyl]ethyl]hexan-1-amine;oxalic acid
CID 52947840
2-(6-chlorohexyl)-3,4-dihydro-1H-isoquinoline
CID 62227824
2-(3-methylbutyl)-3,4-dihydro-1H-isoquinoline;hydrochloride
CID 3029138
N-[5-(3,4-dihydro-1H-isoquinolin-2-yl)pentyl]-4-propan-2-ylbenzenesulfonamide;hydrochloride
CID 68967870

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine (CID 62424621) is 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCCCN1CCc2ccccc2C1.
What is the InChIKey of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is VDWAYYLBAYRYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2/c1-16(2)14-19-11-6-3-7-12-20-13-10-17-8-4-5-9-18(17)15-20/h4-5,8-9,16,19H,3,6-7,10-15H2,1-2H3.
What are the key properties of 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine?
5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 274.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 62424621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).