2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine

C17H27N3 — CID 114524044

IUPAC2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1CCCCC1CCN1CCc2cccc(N)c2C1
InChIInChI=1S/C17H27N3/c1-19-10-3-2-6-15(19)9-12-20-11-8-14-5-4-7-17(18)16(14)13-20/h4-5,7,15H,2-3,6,8-13,18H2,1H3
InChIKeyMDVXNSHYNKMJHG-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.50
Rot. Bonds3

About 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine

2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine (PubChem CID 114524044) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine.

Molecular Properties

Compound Name2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
PubChem CID114524044
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
SMILESCN1CCCCC1CCN1CCc2cccc(N)c2C1
InChIInChI=1S/C17H27N3/c1-19-10-3-2-6-15(19)9-12-20-11-8-14-5-4-7-17(18)16(14)13-20/h4-5,7,15H,2-3,6,8-13,18H2,1H3
InChIKeyMDVXNSHYNKMJHG-UHFFFAOYSA-N
XLogP2.50
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114524212
2-(2-aminoethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581881
2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-methylpiperidin-1-yl)ethanone
CID 114523924
2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 82581674
2-(3-cyclopentylpropyl)-1,3-dihydroisoindol-4-amine
CID 106008219
1-[2-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]imidazolidin-2-one
CID 114523960
1-[2-(1-methylpiperidin-2-yl)ethyl]-2,3-dihydroindol-5-amine
CID 107912688
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydroisoquinolin-1-one
CID 107914190
4-[2-(1-methylpyrrolidin-2-yl)ethyl]-3,5-dihydro-2H-1,4-benzoxazepine-9-carboxylic acid
CID 138021364
ethyl 6-(8-amino-3,4-dihydro-1H-isoquinolin-2-yl)hexanoate
CID 114524193
2-(2-methylthian-3-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522069
2-[(3-methylphenyl)methyl]-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522494

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The IUPAC name of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine (CID 114524044) is 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine.
What is the SMILES notation for 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The canonical SMILES for 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine is CN1CCCCC1CCN1CCc2cccc(N)c2C1.
What is the InChIKey of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
The InChIKey is MDVXNSHYNKMJHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-19-10-3-2-6-15(19)9-12-20-11-8-14-5-4-7-17(18)16(14)13-20/h4-5,7,15H,2-3,6,8-13,18H2,1H3.
What are the key properties of 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine?
2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine has a molecular weight of 273.42 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpiperidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinolin-8-amine is sourced from PubChem (CID 114524044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).