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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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).