N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine

C16H20N2O — CID 103081674

IUPACN-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2cccc3cnccc23)C1
InChIInChI=1S/C16H20N2O/c1-19-15-6-5-14(9-15)18-11-13-4-2-3-12-10-17-8-7-16(12)13/h2-4,7-8,10,14-15,18H,5-6,9,11H2,1H3
InChIKeyPOHHVNJFNYEIMO-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.89
Rot. Bonds4

About N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine

N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine (PubChem CID 103081674) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
PubChem CID103081674
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine
SMILESCOC1CCC(NCc2cccc3cnccc23)C1
InChIInChI=1S/C16H20N2O/c1-19-15-6-5-14(9-15)18-11-13-4-2-3-12-10-17-8-7-16(12)13/h2-4,7-8,10,14-15,18H,5-6,9,11H2,1H3
InChIKeyPOHHVNJFNYEIMO-UHFFFAOYSA-N
XLogP2.89
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
N-[(2,3-dimethoxyphenyl)methyl]-3-methoxycyclopentan-1-amine
CID 103081816
N-(isoquinolin-5-ylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 104694147
5-[[(3aR,6R,7aS)-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indol-1-yl]methyl]isoquinoline
CID 119069872
methyl 2-[[(3-methoxycyclopentyl)amino]methyl]benzoate
CID 103083146
3-methoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]cyclopentan-1-amine
CID 103081583
3-[4-(isoquinolin-5-ylmethylamino)piperidin-1-yl]-1-methylpyrazin-2-one
CID 128976621
N-(isoquinolin-5-ylmethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 62824077
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
6-N-cyclopropyl-4-N-(isoquinolin-5-ylmethyl)-4-N-methylpyrimidine-2,4,6-triamine
CID 50968092

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine (CID 103081674) is N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine is COC1CCC(NCc2cccc3cnccc23)C1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine?
The InChIKey is POHHVNJFNYEIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-15-6-5-14(9-15)18-11-13-4-2-3-12-10-17-8-7-16(12)13/h2-4,7-8,10,14-15,18H,5-6,9,11H2,1H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine?
N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-3-methoxycyclopentan-1-amine is sourced from PubChem (CID 103081674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).