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

C15H24N2 — CID 83042404

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-3-6-15(11-16-2)17-10-9-13-7-4-5-8-14(13)12-17/h4-5,7-8,15-16H,3,6,9-12H2,1-2H3
InChIKeyHAAFHJLPSNLGOW-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.43
Rot. Bonds5

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine (PubChem CID 83042404) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
PubChem CID83042404
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
SMILESCCCC(CNC)N1CCc2ccccc2C1
InChIInChI=1S/C15H24N2/c1-3-6-15(11-16-2)17-10-9-13-7-4-5-8-14(13)12-17/h4-5,7-8,15-16H,3,6,9-12H2,1-2H3
InChIKeyHAAFHJLPSNLGOW-UHFFFAOYSA-N
XLogP2.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
CID 16783013
N-propan-2-yl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83054132
N-tert-butyl-2-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pentan-1-amine
CID 83039576
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
2-(1,3-dihydroisoindol-2-yl)-N-propylpentan-1-amine
CID 83042303
2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
CID 43130422
2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methylbutan-1-amine
CID 62439646
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-methylpentyl]butanamide
CID 110403747
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-ethyl-2-methylbutan-1-amine
CID 81011975
1-[(2S)-2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 100655568
N-tert-butyl-2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pentan-1-amine
CID 83042309

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine (CID 83042404) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine is CCCC(CNC)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine?
The InChIKey is HAAFHJLPSNLGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-6-15(11-16-2)17-10-9-13-7-4-5-8-14(13)12-17/h4-5,7-8,15-16H,3,6,9-12H2,1-2H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 2.43, 5 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)-N-methylpentan-1-amine is sourced from PubChem (CID 83042404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).