N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine

C18H24N2O — CID 106539197

IUPACN-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCCC(C)(C)C3)c2c1
InChIInChI=1S/C18H24N2O/c1-18(2)9-4-5-14(12-18)20-17-16-11-15(21-3)7-6-13(16)8-10-19-17/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,19,20)
InChIKeyMKSVSJNPKVBCGC-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.62
Rot. Bonds3

About N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine

N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine (PubChem CID 106539197) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
PubChem CID106539197
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine
SMILESCOc1ccc2ccnc(NC3CCCC(C)(C)C3)c2c1
InChIInChI=1S/C18H24N2O/c1-18(2)9-4-5-14(12-18)20-17-16-11-15(21-3)7-6-13(16)8-10-19-17/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,19,20)
InChIKeyMKSVSJNPKVBCGC-UHFFFAOYSA-N
XLogP4.62
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-methoxy-N-(3-methylcyclobutyl)isoquinolin-1-amine
CID 106539528
7-methoxy-N-(2,2,3,3-tetramethylcyclopropyl)isoquinolin-1-amine
CID 106539062
7-methoxy-N-(3-methylcyclopentyl)isoquinolin-1-amine
CID 106539967
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
7-methoxy-N-[(1-methylcyclopentyl)methyl]isoquinolin-1-amine
CID 106538593
7-methoxy-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]isoquinolin-1-amine
CID 106539056
N-(cyclopentylmethyl)-7-methoxyisoquinolin-1-amine
CID 106537491
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
N-(2-chlorocycloheptyl)-7-methoxyisoquinolin-1-amine
CID 106543045
N-[2-(aminomethyl)cyclopentyl]-7-methoxyisoquinolin-1-amine
CID 106540782
7-methoxy-N-(2-methyloxolan-3-yl)isoquinolin-1-amine
CID 106539264
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine?
The IUPAC name of N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine (CID 106539197) is N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine?
The canonical SMILES for N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine is COc1ccc2ccnc(NC3CCCC(C)(C)C3)c2c1.
What is the InChIKey of N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine?
The InChIKey is MKSVSJNPKVBCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-18(2)9-4-5-14(12-18)20-17-16-11-15(21-3)7-6-13(16)8-10-19-17/h6-8,10-11,14H,4-5,9,12H2,1-3H3,(H,19,20).
What are the key properties of N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine?
N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine has a molecular weight of 284.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclohexyl)-7-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106539197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).