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

C15H18N2O — CID 116995348

IUPAC[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
SMILESCOc1ccc2ccnc(C3(CN)CCC3)c2c1
InChIInChI=1S/C15H18N2O/c1-18-12-4-3-11-5-8-17-14(13(11)9-12)15(10-16)6-2-7-15/h3-5,8-9H,2,6-7,10,16H2,1H3
InChIKeyAIXWODVBVCNVMF-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.62
Rot. Bonds3

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

[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine (PubChem CID 116995348) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
PubChem CID116995348
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name[1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine
SMILESCOc1ccc2ccnc(C3(CN)CCC3)c2c1
InChIInChI=1S/C15H18N2O/c1-18-12-4-3-11-5-8-17-14(13(11)9-12)15(10-16)6-2-7-15/h3-5,8-9H,2,6-7,10,16H2,1H3
InChIKeyAIXWODVBVCNVMF-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

[1-(1-methoxyisoquinolin-7-yl)cyclobutyl]methanamine
CID 117358088
1-[(7-methoxyisoquinolin-1-yl)oxymethyl]cyclopentan-1-amine
CID 106542107
[1-(2-ethoxy-4-methoxyphenyl)cyclobutyl]methanamine
CID 117343197
1-ethyl-7-methoxyisoquinoline
CID 119092688
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-7-methoxyisoquinolin-1-amine
CID 106543616
[1-[4-methoxy-2-(methoxymethyl)phenyl]cyclobutyl]methanamine
CID 117343179
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
[1-[(4-methoxyphenoxy)methyl]cyclobutyl]methanamine
CID 84686797
7-methoxyisoquinoline-1-sulfonamide
CID 106541871
[1-[(6-methoxynaphthalen-2-yl)methyl]cyclopropyl]methanamine
CID 116929036
N'-(2-aminoethyl)-N'-(7-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106542337
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742

Frequently Asked Questions

What is the IUPAC name of [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine?
The IUPAC name of [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine (CID 116995348) is [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine?
The canonical SMILES for [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine is COc1ccc2ccnc(C3(CN)CCC3)c2c1.
What is the InChIKey of [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine?
The InChIKey is AIXWODVBVCNVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-12-4-3-11-5-8-17-14(13(11)9-12)15(10-16)6-2-7-15/h3-5,8-9H,2,6-7,10,16H2,1H3.
What are the key properties of [1-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine?
[1-(7-methoxyisoquinolin-1-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-(7-methoxyisoquinolin-1-yl)cyclobutyl]methanamine is sourced from PubChem (CID 116995348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).