N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine

C18H24N2O — CID 106538857

IUPACN-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
SMILESCCC1CCC(Nc2nccc3ccc(OC)cc23)C1C
InChIInChI=1S/C18H24N2O/c1-4-13-6-8-17(12(13)2)20-18-16-11-15(21-3)7-5-14(16)9-10-19-18/h5,7,9-13,17H,4,6,8H2,1-3H3,(H,19,20)
InChIKeyXWZHRGASHGDCPC-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.48
Rot. Bonds4

About N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine

N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine (PubChem CID 106538857) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
PubChem CID106538857
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine
SMILESCCC1CCC(Nc2nccc3ccc(OC)cc23)C1C
InChIInChI=1S/C18H24N2O/c1-4-13-6-8-17(12(13)2)20-18-16-11-15(21-3)7-5-14(16)9-10-19-18/h5,7,9-13,17H,4,6,8H2,1-3H3,(H,19,20)
InChIKeyXWZHRGASHGDCPC-UHFFFAOYSA-N
XLogP4.48
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
CID 106539264
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
N-(2-chlorocycloheptyl)-7-methoxyisoquinolin-1-amine
CID 106543045
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
2-[(3-ethyl-2-methylcyclopentyl)amino]-4-methoxybenzenecarbothioamide
CID 81306521
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197
N-(1-cyclopropylethyl)-7-methoxyisoquinolin-1-amine
CID 106537555
2-N-(3-ethyl-2-methylcyclopentyl)-6-methoxypyridine-2,3-diamine
CID 115320867

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine (CID 106538857) is N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine is CCC1CCC(Nc2nccc3ccc(OC)cc23)C1C.
What is the InChIKey of N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine?
The InChIKey is XWZHRGASHGDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-4-13-6-8-17(12(13)2)20-18-16-11-15(21-3)7-5-14(16)9-10-19-18/h5,7,9-13,17H,4,6,8H2,1-3H3,(H,19,20).
What are the key properties of N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine?
N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2-methylcyclopentyl)-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106538857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).