N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine

C15H20N2O — CID 64606050

IUPACN-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cccc2cnccc12
InChIInChI=1S/C15H20N2O/c1-12(7-9-18-2)17-11-14-5-3-4-13-10-16-8-6-15(13)14/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyCPIZNFSSAHAIHI-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.75
Rot. Bonds6

About N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine

N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine (PubChem CID 64606050) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
PubChem CID64606050
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC NameN-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine
SMILESCOCCC(C)NCc1cccc2cnccc12
InChIInChI=1S/C15H20N2O/c1-12(7-9-18-2)17-11-14-5-3-4-13-10-16-8-6-15(13)14/h3-6,8,10,12,17H,7,9,11H2,1-2H3
InChIKeyCPIZNFSSAHAIHI-UHFFFAOYSA-N
XLogP2.75
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(isoquinolin-5-ylmethylamino)butan-1-ol
CID 83177363
N-(isoquinolin-5-ylmethyl)-4-methylpentan-2-amine
CID 62823531
(2R)-2-(isoquinolin-5-ylmethylamino)propan-1-ol
CID 94873246
N-(isoquinolin-5-ylmethyl)-2-methylpentan-3-amine
CID 55118905
N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 62823520
(1R)-N-(isoquinolin-5-ylmethyl)-1-phenylethanamine
CID 81351365
N-(isoquinolin-5-ylmethyl)-1-(1H-pyrazol-4-yl)ethanamine
CID 106209528
N-(1H-indol-4-ylmethyl)-4-methoxybutan-2-amine
CID 63001738
N-(isoquinolin-5-ylmethyl)-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 106282290
N-[(2,3-dichlorophenyl)methyl]-4-methoxybutan-2-amine
CID 62733353
(2S)-2-(isoquinolin-5-ylmethylamino)-5,5-dimethylhexanoic acid
CID 167496493
N-(isoquinolin-5-ylmethyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62823909

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine (CID 64606050) is N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine is COCCC(C)NCc1cccc2cnccc12.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine?
The InChIKey is CPIZNFSSAHAIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(7-9-18-2)17-11-14-5-3-4-13-10-16-8-6-15(13)14/h3-6,8,10,12,17H,7,9,11H2,1-2H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine?
N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine has a molecular weight of 244.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-4-methoxybutan-2-amine is sourced from PubChem (CID 64606050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).