[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine

C18H24N2 — CID 117424911

IUPAC[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine
SMILESCC(C)c1cncc2cc(C3(CN)CCCC3)ccc12
InChIInChI=1S/C18H24N2/c1-13(2)17-11-20-10-14-9-15(5-6-16(14)17)18(12-19)7-3-4-8-18/h5-6,9-11,13H,3-4,7-8,12,19H2,1-2H3
InChIKeyRLHXORHVUZBFIZ-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.13
Rot. Bonds3

About [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine

[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine (PubChem CID 117424911) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine
PubChem CID117424911
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC Name[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine
SMILESCC(C)c1cncc2cc(C3(CN)CCCC3)ccc12
InChIInChI=1S/C18H24N2/c1-13(2)17-11-20-10-14-9-15(5-6-16(14)17)18(12-19)7-3-4-8-18/h5-6,9-11,13H,3-4,7-8,12,19H2,1-2H3
InChIKeyRLHXORHVUZBFIZ-UHFFFAOYSA-N
XLogP4.13
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine?
The IUPAC name of [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine (CID 117424911) is [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine.
What is the SMILES notation for [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine?
The canonical SMILES for [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine is CC(C)c1cncc2cc(C3(CN)CCCC3)ccc12.
What is the InChIKey of [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine?
The InChIKey is RLHXORHVUZBFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-13(2)17-11-20-10-14-9-15(5-6-16(14)17)18(12-19)7-3-4-8-18/h5-6,9-11,13H,3-4,7-8,12,19H2,1-2H3.
What are the key properties of [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine?
[1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine has a molecular weight of 268.40 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-propan-2-ylisoquinolin-7-yl)cyclopentyl]methanamine is sourced from PubChem (CID 117424911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).