(2-isoquinolin-5-ylcyclopentyl)methanamine

C15H18N2 — CID 81010560

IUPAC(2-isoquinolin-5-ylcyclopentyl)methanamine
SMILESNCC1CCCC1c1cccc2cnccc12
InChIInChI=1S/C15H18N2/c16-9-11-3-1-5-13(11)15-6-2-4-12-10-17-8-7-14(12)15/h2,4,6-8,10-11,13H,1,3,5,9,16H2
InChIKeyHDCCJDSJXPMQDH-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.08
Rot. Bonds2

About (2-isoquinolin-5-ylcyclopentyl)methanamine

(2-isoquinolin-5-ylcyclopentyl)methanamine (PubChem CID 81010560) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is (2-isoquinolin-5-ylcyclopentyl)methanamine.

Molecular Properties

Compound Name(2-isoquinolin-5-ylcyclopentyl)methanamine
PubChem CID81010560
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name(2-isoquinolin-5-ylcyclopentyl)methanamine
SMILESNCC1CCCC1c1cccc2cnccc12
InChIInChI=1S/C15H18N2/c16-9-11-3-1-5-13(11)15-6-2-4-12-10-17-8-7-14(12)15/h2,4,6-8,10-11,13H,1,3,5,9,16H2
InChIKeyHDCCJDSJXPMQDH-UHFFFAOYSA-N
XLogP3.08
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-5-ylcyclohexan-1-amine
CID 62812316
2-isoquinolin-5-yl-N-methylcyclohexan-1-amine
CID 62812477
5-(3-ethylpiperidin-4-yl)isoquinoline
CID 114510663
[(1S,2S)-2-pyridin-3-ylcyclopentyl]methanamine
CID 138571732
[2-(3-fluoro-4-pyridinyl)cycloheptyl]methanamine
CID 104739408
4-isoquinolin-5-ylcyclohexan-1-one
CID 83262300
5-(3-bromocyclohexyl)isoquinoline
CID 64507153
N-(2-aminoethyl)-N-cyclobutylisoquinoline-5-sulfonamide
CID 102874432
5-[(2S)-pyrrolidin-2-yl]isoquinoline
CID 66518641
[2-[4-(trifluoromethyl)-3-pyridinyl]cycloheptyl]methanamine
CID 102709208
2-isoquinolin-4-ylcyclopentan-1-amine
CID 63938433
4-ethyl-2-isoquinolin-8-ylcyclohexan-1-amine
CID 103132423

Frequently Asked Questions

What is the IUPAC name of (2-isoquinolin-5-ylcyclopentyl)methanamine?
The IUPAC name of (2-isoquinolin-5-ylcyclopentyl)methanamine (CID 81010560) is (2-isoquinolin-5-ylcyclopentyl)methanamine.
What is the SMILES notation for (2-isoquinolin-5-ylcyclopentyl)methanamine?
The canonical SMILES for (2-isoquinolin-5-ylcyclopentyl)methanamine is NCC1CCCC1c1cccc2cnccc12.
What is the InChIKey of (2-isoquinolin-5-ylcyclopentyl)methanamine?
The InChIKey is HDCCJDSJXPMQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c16-9-11-3-1-5-13(11)15-6-2-4-12-10-17-8-7-14(12)15/h2,4,6-8,10-11,13H,1,3,5,9,16H2.
What are the key properties of (2-isoquinolin-5-ylcyclopentyl)methanamine?
(2-isoquinolin-5-ylcyclopentyl)methanamine has a molecular weight of 226.32 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-isoquinolin-5-ylcyclopentyl)methanamine is sourced from PubChem (CID 81010560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).