2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide

C17H25N3O — CID 63947796

IUPAC2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide
SMILESNCC1c2ccccc2CCN1CC(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O/c18-11-16-15-8-4-1-5-13(15)9-10-20(16)12-17(21)19-14-6-2-3-7-14/h1,4-5,8,14,16H,2-3,6-7,9-12,18H2,(H,19,21)
InChIKeyLQECQWVRATZDNN-UHFFFAOYSA-N
MW287.41 g/mol
LogP1.60
Rot. Bonds4

About 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide

2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide (PubChem CID 63947796) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide
PubChem CID63947796
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide
SMILESNCC1c2ccccc2CCN1CC(=O)NC1CCCC1
InChIInChI=1S/C17H25N3O/c18-11-16-15-8-4-1-5-13(15)9-10-20(16)12-17(21)19-14-6-2-3-7-14/h1,4-5,8,14,16H,2-3,6-7,9-12,18H2,(H,19,21)
InChIKeyLQECQWVRATZDNN-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-dimethylacetamide
CID 63949438
methyl 2-[2-(cyclohexylcarbamoyl)-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 46346984
1-(aminomethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 82506899
N-cyclohexyl-2-(3,4-dihydro-2H-quinolin-1-yl)acetamide
CID 8686666
2-[(1R)-2-(4-chlorophenyl)sulfonyl-3,4-dihydro-1H-isoquinolin-1-yl]-N-cyclopentylacetamide
CID 92700154
N-[1-[2-(cyclopropylamino)-2-oxoethyl]piperidin-4-yl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 99955335
1-[2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]pyridin-2-one
CID 82898976
(1S)-2-[2-(cyclohexylmethylamino)-2-oxoethyl]-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 95302040
N-[4-(aminomethyl)cyclohexyl]-2-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide;hydrochloride
CID 170899391
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopentylacetamide
CID 63760691
2-(2-methylpiperidin-1-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 51170933
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 11931274

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide?
The IUPAC name of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide (CID 63947796) is 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide is NCC1c2ccccc2CCN1CC(=O)NC1CCCC1.
What is the InChIKey of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide?
The InChIKey is LQECQWVRATZDNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c18-11-16-15-8-4-1-5-13(15)9-10-20(16)12-17(21)19-14-6-2-3-7-14/h1,4-5,8,14,16H,2-3,6-7,9-12,18H2,(H,19,21).
What are the key properties of 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide?
2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide has a molecular weight of 287.41 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-N-cyclopentylacetamide is sourced from PubChem (CID 63947796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).