N-(isoquinolin-5-ylmethyl)cyclooctanamine

C18H24N2 — CID 62822995

IUPACN-(isoquinolin-5-ylmethyl)cyclooctanamine
SMILESc1cc(CNC2CCCCCCC2)c2ccncc2c1
InChIInChI=1S/C18H24N2/c1-2-4-9-17(10-5-3-1)20-14-16-8-6-7-15-13-19-12-11-18(15)16/h6-8,11-13,17,20H,1-5,9-10,14H2
InChIKeyQOKUXHQABLUOAH-UHFFFAOYSA-N
MW268.40 g/mol
LogP4.44
Rot. Bonds3

About N-(isoquinolin-5-ylmethyl)cyclooctanamine

N-(isoquinolin-5-ylmethyl)cyclooctanamine (PubChem CID 62822995) has the molecular formula C18H24N2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)cyclooctanamine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)cyclooctanamine
PubChem CID62822995
Molecular FormulaC18H24N2
Molecular Weight268.40 g/mol
Exact Mass268.19
IUPAC NameN-(isoquinolin-5-ylmethyl)cyclooctanamine
SMILESc1cc(CNC2CCCCCCC2)c2ccncc2c1
InChIInChI=1S/C18H24N2/c1-2-4-9-17(10-5-3-1)20-14-16-8-6-7-15-13-19-12-11-18(15)16/h6-8,11-13,17,20H,1-5,9-10,14H2
InChIKeyQOKUXHQABLUOAH-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
CID 103081674
N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62824077
3-[4-(isoquinolin-5-ylmethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976621
N-[(5-isoquinolin-5-ylfuran-2-yl)methyl]cyclopropanamine
CID 43808705
1-[(isoquinolin-5-ylmethylamino)methyl]cycloheptan-1-ol
CID 65123185
(4S)-N-(isoquinolin-5-ylmethyl)-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 42516599
N-(quinolin-4-ylmethyl)cyclohexanamine
CID 62337129
N-[(4-cycloheptyloxy-3-pyridinyl)methyl]cyclopropanamine
CID 81250789

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)cyclooctanamine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)cyclooctanamine (CID 62822995) is N-(isoquinolin-5-ylmethyl)cyclooctanamine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)cyclooctanamine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)cyclooctanamine is c1cc(CNC2CCCCCCC2)c2ccncc2c1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)cyclooctanamine?
The InChIKey is QOKUXHQABLUOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2/c1-2-4-9-17(10-5-3-1)20-14-16-8-6-7-15-13-19-12-11-18(15)16/h6-8,11-13,17,20H,1-5,9-10,14H2.
What are the key properties of N-(isoquinolin-5-ylmethyl)cyclooctanamine?
N-(isoquinolin-5-ylmethyl)cyclooctanamine has a molecular weight of 268.40 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)cyclooctanamine is sourced from PubChem (CID 62822995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).