3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine

C15H24N2 — CID 84795685

IUPAC3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
SMILESCC(C)N1CCc2cccc(CCCN)c2C1
InChIInChI=1S/C15H24N2/c1-12(2)17-10-8-14-6-3-5-13(7-4-9-16)15(14)11-17/h3,5-6,12H,4,7-11,16H2,1-2H3
InChIKeyPMNRFKKOZIUMDX-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.34
Rot. Bonds4

About 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine

3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine (PubChem CID 84795685) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine.

Molecular Properties

Compound Name3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
PubChem CID84795685
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
SMILESCC(C)N1CCc2cccc(CCCN)c2C1
InChIInChI=1S/C15H24N2/c1-12(2)17-10-8-14-6-3-5-13(7-4-9-16)15(14)11-17/h3,5-6,12H,4,7-11,16H2,1-2H3
InChIKeyPMNRFKKOZIUMDX-UHFFFAOYSA-N
XLogP2.34
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
CID 84786382
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile
CID 84783564
2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
8-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 155242264
(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol
CID 101477066
2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522154
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721
8-butan-2-yl-2-(1-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline
CID 146518983
3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine
CID 3737960
2-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279835
1-(8-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 155043779

Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
The IUPAC name of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine (CID 84795685) is 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine.
What is the SMILES notation for 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
The canonical SMILES for 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine is CC(C)N1CCc2cccc(CCCN)c2C1.
What is the InChIKey of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
The InChIKey is PMNRFKKOZIUMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12(2)17-10-8-14-6-3-5-13(7-4-9-16)15(14)11-17/h3,5-6,12H,4,7-11,16H2,1-2H3.
What are the key properties of 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine?
3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine is sourced from PubChem (CID 84795685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).