N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine

C17H23N3O — CID 106543382

IUPACN-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(NCC3CCCCC3N)nccc2c1
InChIInChI=1S/C17H23N3O/c1-21-14-6-7-15-12(10-14)8-9-19-17(15)20-11-13-4-2-3-5-16(13)18/h6-10,13,16H,2-5,11,18H2,1H3,(H,19,20)
InChIKeyVOYQKCUOPHDMSL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.17
Rot. Bonds4

About N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine

N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine (PubChem CID 106543382) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
PubChem CID106543382
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
SMILESCOc1ccc2c(NCC3CCCCC3N)nccc2c1
InChIInChI=1S/C17H23N3O/c1-21-14-6-7-15-12(10-14)8-9-19-17(15)20-11-13-4-2-3-5-16(13)18/h6-10,13,16H,2-5,11,18H2,1H3,(H,19,20)
InChIKeyVOYQKCUOPHDMSL-UHFFFAOYSA-N
XLogP3.17
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106538839
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
[2-[[(7-methoxyisoquinolin-1-yl)amino]methyl]cyclopentyl]methanol
CID 106538974
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
N-[(2-aminocyclopentyl)methyl]-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106543389
6-methoxy-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]isoquinolin-1-amine
CID 106541129
2-cyclopropyl-2-N-(6-methoxyisoquinolin-1-yl)propane-1,2-diamine
CID 106540980
6-methoxy-N-(2-pyrrolidin-1-ylethyl)isoquinolin-1-amine
CID 106538439
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
N-(2-chloropropyl)-6-methoxyisoquinolin-1-amine
CID 106542661

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine (CID 106543382) is N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine is COc1ccc2c(NCC3CCCCC3N)nccc2c1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine?
The InChIKey is VOYQKCUOPHDMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-21-14-6-7-15-12(10-14)8-9-19-17(15)20-11-13-4-2-3-5-16(13)18/h6-10,13,16H,2-5,11,18H2,1H3,(H,19,20).
What are the key properties of N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine?
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine has a molecular weight of 285.39 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106543382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).