N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine

C16H18N2O — CID 106538942

IUPACN-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC3CC=CCC3)nccc12
InChIInChI=1S/C16H18N2O/c1-19-15-9-5-8-14-13(15)10-11-17-16(14)18-12-6-3-2-4-7-12/h2-3,5,8-12H,4,6-7H2,1H3,(H,17,18)
InChIKeyQWEBMKRRXJEHSX-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.76
Rot. Bonds3

About N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine

N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine (PubChem CID 106538942) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
PubChem CID106538942
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine
SMILESCOc1cccc2c(NC3CC=CCC3)nccc12
InChIInChI=1S/C16H18N2O/c1-19-15-9-5-8-14-13(15)10-11-17-16(14)18-12-6-3-2-4-7-12/h2-3,5,8-12H,4,6-7H2,1H3,(H,17,18)
InChIKeyQWEBMKRRXJEHSX-UHFFFAOYSA-N
XLogP3.76
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
5-methoxy-N-(1-methylpiperidin-4-yl)isoquinolin-1-amine
CID 106537508
5-methoxy-N-(oxan-3-yl)isoquinolin-1-amine
CID 106538566
N-(1-ethylpiperidin-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537883
N-(2,3-dimethylcyclopentyl)-5-methoxyisoquinolin-1-amine
CID 106538850
2-N-(5-methoxyisoquinolin-1-yl)cyclohexane-1,2-diamine
CID 106540400
5-[(5-methoxyisoquinolin-1-yl)amino]-1-methylpiperidin-2-one
CID 106538817
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-methoxyisoquinolin-1-amine
CID 106537339
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
N-(1,2,2a,3,4,8b-hexahydrocyclobuta[a]naphthalen-2-yl)-5-methoxyisoquinolin-1-amine
CID 167801144
4-[(5-methoxyisoquinolin-1-yl)amino]oxolane-3-carboxylic acid
CID 106536285
1-cyclopropyl-N'-(5-methoxyisoquinolin-1-yl)ethane-1,2-diamine
CID 106540945

Frequently Asked Questions

What is the IUPAC name of N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine?
The IUPAC name of N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine (CID 106538942) is N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine.
What is the SMILES notation for N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine?
The canonical SMILES for N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine is COc1cccc2c(NC3CC=CCC3)nccc12.
What is the InChIKey of N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine?
The InChIKey is QWEBMKRRXJEHSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-19-15-9-5-8-14-13(15)10-11-17-16(14)18-12-6-3-2-4-7-12/h2-3,5,8-12H,4,6-7H2,1H3,(H,17,18).
What are the key properties of N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine?
N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine has a molecular weight of 254.33 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohex-3-en-1-yl-5-methoxyisoquinolin-1-amine is sourced from PubChem (CID 106538942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).