N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine

C18H24N2O — CID 115856200

IUPACN-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc2ccccc12)C1OCCC1C
InChIInChI=1S/C18H24N2O/c1-3-9-20-17(18-13(2)8-10-21-18)16-12-19-11-14-6-4-5-7-15(14)16/h4-7,11-13,17-18,20H,3,8-10H2,1-2H3
InChIKeyUALLBCXYUXQJGM-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.70
Rot. Bonds5

About N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine

N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine (PubChem CID 115856200) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
PubChem CID115856200
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1cncc2ccccc12)C1OCCC1C
InChIInChI=1S/C18H24N2O/c1-3-9-20-17(18-13(2)8-10-21-18)16-12-19-11-14-6-4-5-7-15(14)16/h4-7,11-13,17-18,20H,3,8-10H2,1-2H3
InChIKeyUALLBCXYUXQJGM-UHFFFAOYSA-N
XLogP3.70
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-benzothiophen-7-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105021865
N-[(2,3-difluoro-4-methylphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 107516032
N-[(4-chloro-2-fluorophenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105022561
N-[(2-fluoro-3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105024939
2-ethyl-1-isoquinolin-4-yl-N-propylbutan-1-amine
CID 115856346
1-isoquinolin-4-yl-3-methyl-N-propylbutan-1-amine
CID 63939204
isoquinolin-5-yl-(3-methyloxolan-2-yl)methanamine
CID 115853236
N-[(3-methoxypyrazin-2-yl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105031966
2-isoquinolin-4-yl-2-(propylamino)acetic acid
CID 104504256
N-(1-isoquinolin-4-yl-2,2-dimethoxyethyl)propan-1-amine
CID 79492792
1-isoquinolin-4-yl-4-methyl-N-propylpentan-1-amine
CID 63940553
N-[(3-methoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 115785515

Frequently Asked Questions

What is the IUPAC name of N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine (CID 115856200) is N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine is CCCNC(c1cncc2ccccc12)C1OCCC1C.
What is the InChIKey of N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
The InChIKey is UALLBCXYUXQJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-9-20-17(18-13(2)8-10-21-18)16-12-19-11-14-6-4-5-7-15(14)16/h4-7,11-13,17-18,20H,3,8-10H2,1-2H3.
What are the key properties of N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine?
N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[isoquinolin-4-yl-(3-methyloxolan-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 115856200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).