N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine

C18H24N2O — CID 104611200

IUPACN-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cncc2ccccc12)C1(OC)CCCC1
InChIInChI=1S/C18H24N2O/c1-3-20-17(18(21-2)10-6-7-11-18)16-13-19-12-14-8-4-5-9-15(14)16/h4-5,8-9,12-13,17,20H,3,6-7,10-11H2,1-2H3
InChIKeyUOGLBRDYJIZEMH-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.84
Rot. Bonds5

About N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine

N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine (PubChem CID 104611200) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine.

Molecular Properties

Compound NameN-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine
PubChem CID104611200
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine
SMILESCCNC(c1cncc2ccccc12)C1(OC)CCCC1
InChIInChI=1S/C18H24N2O/c1-3-20-17(18(21-2)10-6-7-11-18)16-13-19-12-14-8-4-5-9-15(14)16/h4-5,8-9,12-13,17,20H,3,6-7,10-11H2,1-2H3
InChIKeyUOGLBRDYJIZEMH-UHFFFAOYSA-N
XLogP3.84
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]hydrazine
CID 105268700
3-[ethylamino-(1-methoxycyclopentyl)methyl]pyridin-4-amine
CID 104611312
N-[(1-methoxycyclopentyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 113432853
N-[isoquinolin-5-yl-(1-methylcyclohexyl)methyl]ethanamine
CID 106830050
N-[1-benzofuran-2-yl-(1-methoxycyclohexyl)methyl]ethanamine
CID 114731424
N-[(1-methoxycyclohexyl)-(5-methyl-3-pyridinyl)methyl]ethanamine
CID 116763272
isoquinolin-4-yl-(1-methoxy-3-methylcyclohexyl)methanol
CID 116755033
N-ethyl-1-isoquinolin-4-yl-3-methylbutan-1-amine
CID 63939203
N-[(4-chlorophenyl)-isoquinolin-4-ylmethyl]ethanamine
CID 63941143
N-[(1-methoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]ethanamine
CID 116763285
1-isoquinolin-8-yl-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 103143775
N-[isoquinolin-4-yl-(3-methoxythiophen-2-yl)methyl]ethanamine
CID 115856366

Frequently Asked Questions

What is the IUPAC name of N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine?
The IUPAC name of N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine (CID 104611200) is N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine.
What is the SMILES notation for N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine?
The canonical SMILES for N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine is CCNC(c1cncc2ccccc12)C1(OC)CCCC1.
What is the InChIKey of N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine?
The InChIKey is UOGLBRDYJIZEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-20-17(18(21-2)10-6-7-11-18)16-13-19-12-14-8-4-5-9-15(14)16/h4-5,8-9,12-13,17,20H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine?
N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isoquinolin-4-yl-(1-methoxycyclopentyl)methyl]ethanamine is sourced from PubChem (CID 104611200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).