isoquinolin-8-yl-(2-methylcyclopropyl)methanamine

C14H16N2 — CID 103137397

IUPACisoquinolin-8-yl-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1cccc2ccncc12
InChIInChI=1S/C14H16N2/c1-9-7-12(9)14(15)11-4-2-3-10-5-6-16-8-13(10)11/h2-6,8-9,12,14H,7,15H2,1H3
InChIKeyHXWHFUGVPUFMFN-UHFFFAOYSA-N
MW212.30 g/mol
LogP2.89
Rot. Bonds2

About isoquinolin-8-yl-(2-methylcyclopropyl)methanamine

isoquinolin-8-yl-(2-methylcyclopropyl)methanamine (PubChem CID 103137397) has the molecular formula C14H16N2 and a molecular weight of 212.30 g/mol. Its IUPAC name is isoquinolin-8-yl-(2-methylcyclopropyl)methanamine.

Molecular Properties

Compound Nameisoquinolin-8-yl-(2-methylcyclopropyl)methanamine
PubChem CID103137397
Molecular FormulaC14H16N2
Molecular Weight212.30 g/mol
Exact Mass212.13
IUPAC Nameisoquinolin-8-yl-(2-methylcyclopropyl)methanamine
SMILESCC1CC1C(N)c1cccc2ccncc12
InChIInChI=1S/C14H16N2/c1-9-7-12(9)14(15)11-4-2-3-10-5-6-16-8-13(10)11/h2-6,8-9,12,14H,7,15H2,1H3
InChIKeyHXWHFUGVPUFMFN-UHFFFAOYSA-N
XLogP2.89
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

isoquinolin-8-yl-(4-methyl-3-pyridinyl)methanamine
CID 103143849
isoquinolin-8-yl-(4-methylphenyl)methanamine
CID 103136734
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
2-cyclohexyl-1-isoquinolin-8-ylethanamine
CID 103135918
isoquinolin-8-yl(pyridin-3-yl)methanamine
CID 103137345
3-cyclopentyl-1-isoquinolin-8-ylpropan-1-amine
CID 103136749
1-isoquinolin-8-yl-N-methyl-1-(2-methyloxolan-3-yl)methanamine
CID 103136814
isoquinolin-8-yl-(1-methoxycyclobutyl)methanamine
CID 103143784
isoquinolin-8-yl-(5-methylfuran-2-yl)methanamine
CID 103137421
isoquinolin-5-yl-(4-propan-2-ylcyclohexyl)methanamine
CID 65425147
(3-ethylthiophen-2-yl)-isoquinolin-8-ylmethanamine
CID 103136203
isoquinolin-8-yl-(2-methylthiolan-2-yl)methanamine
CID 103137667

Frequently Asked Questions

What is the IUPAC name of isoquinolin-8-yl-(2-methylcyclopropyl)methanamine?
The IUPAC name of isoquinolin-8-yl-(2-methylcyclopropyl)methanamine (CID 103137397) is isoquinolin-8-yl-(2-methylcyclopropyl)methanamine.
What is the SMILES notation for isoquinolin-8-yl-(2-methylcyclopropyl)methanamine?
The canonical SMILES for isoquinolin-8-yl-(2-methylcyclopropyl)methanamine is CC1CC1C(N)c1cccc2ccncc12.
What is the InChIKey of isoquinolin-8-yl-(2-methylcyclopropyl)methanamine?
The InChIKey is HXWHFUGVPUFMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2/c1-9-7-12(9)14(15)11-4-2-3-10-5-6-16-8-13(10)11/h2-6,8-9,12,14H,7,15H2,1H3.
What are the key properties of isoquinolin-8-yl-(2-methylcyclopropyl)methanamine?
isoquinolin-8-yl-(2-methylcyclopropyl)methanamine has a molecular weight of 212.30 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for isoquinolin-8-yl-(2-methylcyclopropyl)methanamine is sourced from PubChem (CID 103137397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).