N-(3-isoquinolin-5-ylbutyl)cyclopropanamine

C16H20N2 — CID 81018964

IUPACN-(3-isoquinolin-5-ylbutyl)cyclopropanamine
SMILESCC(CCNC1CC1)c1cccc2cnccc12
InChIInChI=1S/C16H20N2/c1-12(7-10-18-14-5-6-14)15-4-2-3-13-11-17-9-8-16(13)15/h2-4,8-9,11-12,14,18H,5-7,10H2,1H3
InChIKeyJXQDXTDHMMEGTG-UHFFFAOYSA-N
MW240.35 g/mol
LogP3.48
Rot. Bonds5

About N-(3-isoquinolin-5-ylbutyl)cyclopropanamine

N-(3-isoquinolin-5-ylbutyl)cyclopropanamine (PubChem CID 81018964) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(3-isoquinolin-5-ylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-isoquinolin-5-ylbutyl)cyclopropanamine
PubChem CID81018964
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC NameN-(3-isoquinolin-5-ylbutyl)cyclopropanamine
SMILESCC(CCNC1CC1)c1cccc2cnccc12
InChIInChI=1S/C16H20N2/c1-12(7-10-18-14-5-6-14)15-4-2-3-13-11-17-9-8-16(13)15/h2-4,8-9,11-12,14,18H,5-7,10H2,1H3
InChIKeyJXQDXTDHMMEGTG-UHFFFAOYSA-N
XLogP3.48
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-isoquinolin-5-yl-N-methylpentan-2-amine
CID 64719637
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
3-isoquinolin-8-yl-N-propylbutan-1-amine
CID 103132486
(1S)-1-isoquinolin-5-ylethanol
CID 94831084
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-[isoquinolin-5-yl(pyridin-4-yl)methyl]propan-1-amine
CID 62814161
1-isoquinolin-5-yl-2-methyl-N-propylbutan-1-amine
CID 55229984
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
N-[1-(3-methylbutyl)pyrrolidin-3-yl]isoquinolin-5-amine
CID 71425512

Frequently Asked Questions

What is the IUPAC name of N-(3-isoquinolin-5-ylbutyl)cyclopropanamine?
The IUPAC name of N-(3-isoquinolin-5-ylbutyl)cyclopropanamine (CID 81018964) is N-(3-isoquinolin-5-ylbutyl)cyclopropanamine.
What is the SMILES notation for N-(3-isoquinolin-5-ylbutyl)cyclopropanamine?
The canonical SMILES for N-(3-isoquinolin-5-ylbutyl)cyclopropanamine is CC(CCNC1CC1)c1cccc2cnccc12.
What is the InChIKey of N-(3-isoquinolin-5-ylbutyl)cyclopropanamine?
The InChIKey is JXQDXTDHMMEGTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2/c1-12(7-10-18-14-5-6-14)15-4-2-3-13-11-17-9-8-16(13)15/h2-4,8-9,11-12,14,18H,5-7,10H2,1H3.
What are the key properties of N-(3-isoquinolin-5-ylbutyl)cyclopropanamine?
N-(3-isoquinolin-5-ylbutyl)cyclopropanamine has a molecular weight of 240.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-isoquinolin-5-ylbutyl)cyclopropanamine is sourced from PubChem (CID 81018964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).