4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine

C16H20N2O — CID 116995399

IUPAC4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine
SMILESCOc1ccc2c(C3CCC(N)CC3)nccc2c1
InChIInChI=1S/C16H20N2O/c1-19-14-6-7-15-12(10-14)8-9-18-16(15)11-2-4-13(17)5-3-11/h6-11,13H,2-5,17H2,1H3
InChIKeyZPFFMIOQPFCXDA-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.23
Rot. Bonds2

About 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine

4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine (PubChem CID 116995399) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine
PubChem CID116995399
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine
SMILESCOc1ccc2c(C3CCC(N)CC3)nccc2c1
InChIInChI=1S/C16H20N2O/c1-19-14-6-7-15-12(10-14)8-9-18-16(15)11-2-4-13(17)5-3-11/h6-11,13H,2-5,17H2,1H3
InChIKeyZPFFMIOQPFCXDA-UHFFFAOYSA-N
XLogP3.23
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(7-methoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995308
3-(6,7-dimethoxyisoquinolin-1-yl)cyclobutan-1-amine
CID 116995190
N-cyclopentyl-6-methoxyisoquinolin-1-amine
CID 106537185
1-(6-methoxyisoquinolin-1-yl)pyrrolidine-3,4-diol
CID 106673213
7-methoxy-1-pyrrolidin-3-ylisoquinoline
CID 116995292
1-cyclohexyl-6,7-dimethoxyisoquinoline
CID 70208603
4-N-(6-methoxyisoquinolin-1-yl)-1-N-methylcyclohexane-1,4-diamine
CID 106540859
1-chloro-6-methoxyisoquinoline;ethane
CID 91465219
N-[(2-aminocyclohexyl)methyl]-6-methoxyisoquinolin-1-amine
CID 106543382
4-[[(6-methoxyisoquinolin-1-yl)amino]methyl]cyclohexan-1-ol
CID 106130064
6-methoxy-N-(2-methylcyclopropyl)isoquinolin-1-amine
CID 106538375
6-methoxyisoquinoline-1-carboximidamide
CID 82573378

Frequently Asked Questions

What is the IUPAC name of 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine?
The IUPAC name of 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine (CID 116995399) is 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine?
The canonical SMILES for 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine is COc1ccc2c(C3CCC(N)CC3)nccc2c1.
What is the InChIKey of 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine?
The InChIKey is ZPFFMIOQPFCXDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-19-14-6-7-15-12(10-14)8-9-18-16(15)11-2-4-13(17)5-3-11/h6-11,13H,2-5,17H2,1H3.
What are the key properties of 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine?
4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine has a molecular weight of 256.35 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methoxyisoquinolin-1-yl)cyclohexan-1-amine is sourced from PubChem (CID 116995399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).