3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine

C18H24N2 — CID 104503926

IUPAC3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2cncc3ccccc23)C1C
InChIInChI=1S/C18H24N2/c1-3-14-8-9-18(13(14)2)20-12-16-11-19-10-15-6-4-5-7-17(15)16/h4-7,10-11,13-14,18,20H,3,8-9,12H2,1-2H3
InChIKeyJTLBNVJPCWQOCP-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.15
Rot. Bonds4

About 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine

3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine (PubChem CID 104503926) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine
PubChem CID104503926
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NCc2cncc3ccccc23)C1C
InChIInChI=1S/C18H24N2/c1-3-14-8-9-18(13(14)2)20-12-16-11-19-10-15-6-4-5-7-17(15)16/h4-7,10-11,13-14,18,20H,3,8-9,12H2,1-2H3
InChIKeyJTLBNVJPCWQOCP-UHFFFAOYSA-N
XLogP4.15
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-4-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 115907309
N-benzyl-3-ethyl-2-methylcyclopentan-1-amine
CID 64920559
3-ethyl-N-[(2-ethyl-1-benzofuran-3-yl)methyl]-2-methylcyclopentan-1-amine
CID 64921153
N-(isoquinolin-4-ylmethyl)-1,1-dioxothian-4-amine
CID 104503849
N-[(2,4-dimethylphenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64923688
3-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]pyridine-2-carbonitrile
CID 64921974
N-[(2-bromo-5-chlorophenyl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 66159387
3-ethyl-2-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentan-1-amine
CID 64921560
3-ethyl-2-methyl-N-(1H-pyrrol-2-ylmethyl)cyclopentan-1-amine
CID 64923322
N-[(5-bromothiophen-2-yl)methyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921526
3-chloro-2-[[(3-ethyl-2-methylcyclopentyl)amino]methyl]phenol
CID 113276518
3-ethyl-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 112650199

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine (CID 104503926) is 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine is CCC1CCC(NCc2cncc3ccccc23)C1C.
What is the InChIKey of 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine?
The InChIKey is JTLBNVJPCWQOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-3-14-8-9-18(13(14)2)20-12-16-11-19-10-15-6-4-5-7-17(15)16/h4-7,10-11,13-14,18,20H,3,8-9,12H2,1-2H3.
What are the key properties of 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine?
3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine has a molecular weight of 268.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-(isoquinolin-4-ylmethyl)-2-methylcyclopentan-1-amine is sourced from PubChem (CID 104503926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).