[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine

C15H18N2O — CID 117358088

IUPAC[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
SMILESCOc1nccc2ccc(C3(CN)CCC3)cc12
InChIInChI=1S/C15H18N2O/c1-18-14-13-9-12(15(10-16)6-2-7-15)4-3-11(13)5-8-17-14/h3-5,8-9H,2,6-7,10,16H2,1H3
InChIKeyRTBXIMWOHLEVGL-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.62
Rot. Bonds3

About [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine

[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine (PubChem CID 117358088) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
PubChem CID117358088
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
SMILESCOc1nccc2ccc(C3(CN)CCC3)cc12
InChIInChI=1S/C15H18N2O/c1-18-14-13-9-12(15(10-16)6-2-7-15)4-3-11(13)5-8-17-14/h3-5,8-9H,2,6-7,10,16H2,1H3
InChIKeyRTBXIMWOHLEVGL-UHFFFAOYSA-N
XLogP2.62
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(1-methoxyisoquinolin-7-yl)cyclopropyl]acetic acid
CID 117396222
[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
CID 116995348
1-(1-methoxyisoquinolin-7-yl)cyclohexane-1-carboxylic acid
CID 117459630
[1-(1-methylisoquinolin-6-yl)cyclopropyl]methanamine
CID 117303212
[1-(3-methylisoquinolin-7-yl)cyclobutyl]methanamine
CID 117325791
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
7-bromo-1-methoxyisoquinoline
CID 67491611
1-(1-methoxyisoquinolin-6-yl)cyclopropan-1-ol
CID 117306768
[1-(3-methoxy-4-propan-2-ylphenyl)cyclopentyl]methanamine
CID 117371885
1-[1-(1-methoxyisoquinolin-6-yl)cyclopropyl]ethanamine
CID 117358111
1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine
CID 106542107
[1-[4-(cyclopropylmethoxy)-3-methoxyphenyl]cyclobutyl]methanamine
CID 117408013

Frequently Asked Questions

What is the IUPAC name of [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine (CID 117358088) is [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine is COc1nccc2ccc(C3(CN)CCC3)cc12.
What is the InChIKey of [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine?
The InChIKey is RTBXIMWOHLEVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-14-13-9-12(15(10-16)6-2-7-15)4-3-11(13)5-8-17-14/h3-5,8-9H,2,6-7,10,16H2,1H3.
What are the key properties of [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine?
[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine has a molecular weight of 242.32 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine is sourced from PubChem (CID 117358088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).