(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

C15H20N2O — CID 66030477

IUPAC(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1CCC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O/c16-14-6-5-12(9-14)15(18)17-8-7-11-3-1-2-4-13(11)10-17/h1-4,12,14H,5-10,16H2
InChIKeyPASIHUQTHVHKNG-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.70
Rot. Bonds1

About (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone

(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (PubChem CID 66030477) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.

Molecular Properties

Compound Name(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
PubChem CID66030477
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
SMILESNC1CCC(C(=O)N2CCc3ccccc3C2)C1
InChIInChI=1S/C15H20N2O/c16-14-6-5-12(9-14)15(18)17-8-7-11-3-1-2-4-13(11)10-17/h1-4,12,14H,5-10,16H2
InChIKeyPASIHUQTHVHKNG-UHFFFAOYSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 124515765
(4-aminooxan-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 163402060
1-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]ethanone
CID 17127006
cyclohexyl-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]methanone
CID 38382766
2-(3-aminocyclopentanecarbonyl)-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 66010697
acetylene;[(1S,3R)-3-aminocyclopentyl]-[7-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-2-yl]methanone;propane
CID 143137063
3-amino-N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119850090
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
CID 142826595
cis-(1R,3S)-3-(1,3,4,5-tetrahydro-2-benzazepine-2-carbonyl)cyclohexane-1-carboxylic acid
CID 124606569
(3-aminocyclopentyl)-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)methanone;ethane
CID 143163887
[(1S)-3-aminocyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;cyclopentane
CID 142826594
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 2594222

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The IUPAC name of (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone (CID 66030477) is (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone.
What is the SMILES notation for (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The canonical SMILES for (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is NC1CCC(C(=O)N2CCc3ccccc3C2)C1.
What is the InChIKey of (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
The InChIKey is PASIHUQTHVHKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c16-14-6-5-12(9-14)15(18)17-8-7-11-3-1-2-4-13(11)10-17/h1-4,12,14H,5-10,16H2.
What are the key properties of (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone?
(3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone has a molecular weight of 244.34 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-(3,4-dihydro-1H-isoquinolin-2-yl)methanone is sourced from PubChem (CID 66030477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).