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

C14H22N2 — CID 16783013

IUPAC2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
SMILESCCCC(CN)N1CCc2ccccc2C1
InChIInChI=1S/C14H22N2/c1-2-5-14(10-15)16-9-8-12-6-3-4-7-13(12)11-16/h3-4,6-7,14H,2,5,8-11,15H2,1H3
InChIKeyVLUJGDFFOMQRJF-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.17
Rot. Bonds4

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine (PubChem CID 16783013) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine.

Molecular Properties

Compound Name2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
PubChem CID16783013
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine
SMILESCCCC(CN)N1CCc2ccccc2C1
InChIInChI=1S/C14H22N2/c1-2-5-14(10-15)16-9-8-12-6-3-4-7-13(12)11-16/h3-4,6-7,14H,2,5,8-11,15H2,1H3
InChIKeyVLUJGDFFOMQRJF-UHFFFAOYSA-N
XLogP2.17
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(3,4-dihydro-1H-isoquinolin-2-yl)octan-1-amine
CID 43130422
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpentan-1-amine
CID 83042404
2-(3,4-dihydro-1H-isoquinolin-2-yl)propan-1-amine
CID 16641863
3-pentan-3-yl-1,2,4,5-tetrahydro-3-benzazepine
CID 86055539
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
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pentan-1-amine
CID 65232675
N-[2-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pentyl]cyclopropanamine
CID 83054427
3-(1,3-dihydroisoindol-2-yl)pentan-1-amine
CID 62205355
N-(1-aminopropan-2-yl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-methylpropanamide
CID 119583168
methyl 2-(3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 112688849
2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62136658

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine?
The IUPAC name of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine (CID 16783013) is 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine.
What is the SMILES notation for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine?
The canonical SMILES for 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine is CCCC(CN)N1CCc2ccccc2C1.
What is the InChIKey of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine?
The InChIKey is VLUJGDFFOMQRJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-5-14(10-15)16-9-8-12-6-3-4-7-13(12)11-16/h3-4,6-7,14H,2,5,8-11,15H2,1H3.
What are the key properties of 2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine?
2-(3,4-dihydro-1H-isoquinolin-2-yl)pentan-1-amine has a molecular weight of 218.34 g/mol, XLogP of 2.17, 4 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)pentan-1-amine is sourced from PubChem (CID 16783013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).