N-(isoquinolin-5-ylmethyl)cyclopropanamine

C13H14N2 — CID 58170897

IUPACN-(isoquinolin-5-ylmethyl)cyclopropanamine
SMILESc1cc(CNC2CC2)c2ccncc2c1
InChIInChI=1S/C13H14N2/c1-2-10-8-14-7-6-13(10)11(3-1)9-15-12-4-5-12/h1-3,6-8,12,15H,4-5,9H2
InChIKeyFPJQAVPEIDQYHA-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.49
Rot. Bonds3

About N-(isoquinolin-5-ylmethyl)cyclopropanamine

N-(isoquinolin-5-ylmethyl)cyclopropanamine (PubChem CID 58170897) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)cyclopropanamine
PubChem CID58170897
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC NameN-(isoquinolin-5-ylmethyl)cyclopropanamine
SMILESc1cc(CNC2CC2)c2ccncc2c1
InChIInChI=1S/C13H14N2/c1-2-10-8-14-7-6-13(10)11(3-1)9-15-12-4-5-12/h1-3,6-8,12,15H,4-5,9H2
InChIKeyFPJQAVPEIDQYHA-UHFFFAOYSA-N
XLogP2.49
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
CID 103081674
N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
CID 43808705
3-[4-(isoquinolin-5-ylmethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976621
N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62824077
3-[[[4-(isoquinolin-5-ylmethyl)cyclohexyl]amino]methyl]aniline;3-[[4-(isoquinolin-5-ylmethyl)piperidin-1-yl]methyl]aniline
CID 159221807
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine
CID 62823710
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381730
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)cyclopropanamine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)cyclopropanamine (CID 58170897) is N-(isoquinolin-5-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)cyclopropanamine is c1cc(CNC2CC2)c2ccncc2c1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)cyclopropanamine?
The InChIKey is FPJQAVPEIDQYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-2-10-8-14-7-6-13(10)11(3-1)9-15-12-4-5-12/h1-3,6-8,12,15H,4-5,9H2.
What are the key properties of N-(isoquinolin-5-ylmethyl)cyclopropanamine?
N-(isoquinolin-5-ylmethyl)cyclopropanamine has a molecular weight of 198.27 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)cyclopropanamine is sourced from PubChem (CID 58170897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).