4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine

C17H23N3O — CID 106540859

IUPAC4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2nccc3cc(OC)ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-18-13-3-5-14(6-4-13)20-17-16-8-7-15(21-2)11-12(16)9-10-19-17/h7-11,13-14,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyOITIMKHYERJFHS-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.19
Rot. Bonds4

About 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine

4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine (PubChem CID 106540859) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
PubChem CID106540859
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
SMILESCNC1CCC(Nc2nccc3cc(OC)ccc23)CC1
InChIInChI=1S/C17H23N3O/c1-18-13-3-5-14(6-4-13)20-17-16-8-7-15(21-2)11-12(16)9-10-19-17/h7-11,13-14,18H,3-6H2,1-2H3,(H,19,20)
InChIKeyOITIMKHYERJFHS-UHFFFAOYSA-N
XLogP3.19
TPSA46.18 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 ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
6-methoxy-N-(thiolan-3-yl)isoquinolin-1-amine
CID 106540034
N-cyclopropyl-N'-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540512
4-[(6-methoxyisoquinolin-1-yl)amino]pyrrolidin-2-one
CID 106191834
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-methoxyisoquinolin-1-amine
CID 106538963
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
1-cyclopropyl-N-(6-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540726
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
CID 106539197

Frequently Asked Questions

What is the IUPAC name of 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine (CID 106540859) is 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine is CNC1CCC(Nc2nccc3cc(OC)ccc23)CC1.
What is the InChIKey of 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine?
The InChIKey is OITIMKHYERJFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-18-13-3-5-14(6-4-13)20-17-16-8-7-15(21-2)11-12(16)9-10-19-17/h7-11,13-14,18H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine?
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine has a molecular weight of 285.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 106540859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).