N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine

C18H25N3 — CID 106776173

IUPACN-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(N2CCCC(C)CC2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-14-6-5-10-21(11-9-14)18-17-8-4-3-7-16(17)15(12-19-2)13-20-18/h3-4,7-8,13-14,19H,5-6,9-12H2,1-2H3
InChIKeyIWBIBASSMOOITQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.58
Rot. Bonds3

About N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine

N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine (PubChem CID 106776173) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
PubChem CID106776173
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(N2CCCC(C)CC2)c2ccccc12
InChIInChI=1S/C18H25N3/c1-14-6-5-10-21(11-9-14)18-17-8-4-3-7-16(17)15(12-19-2)13-20-18/h3-4,7-8,13-14,19H,5-6,9-12H2,1-2H3
InChIKeyIWBIBASSMOOITQ-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-[1-(4-methyl-1,4-diazepan-1-yl)isoquinolin-4-yl]methanamine
CID 106774974
1-[1-(3,5-dimethylpiperidin-1-yl)isoquinolin-4-yl]-N-methylmethanamine
CID 106774888
N-methyl-1-[2-(4-methylazepan-1-yl)quinolin-4-yl]methanamine
CID 63625591
N-methyl-1-[2-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 62286090
N-methyl-1-[6-(4-methylazepan-1-yl)-2-pyridinyl]methanamine
CID 63626658
[1-(azepan-1-yl)isoquinolin-4-yl]methanol
CID 106767904
1-[3-fluoro-2-(4-methylpiperidin-1-yl)-4-pyridinyl]-N-methylmethanamine
CID 105388731
1-(azocan-1-yl)-4-(chloromethyl)isoquinoline
CID 106768958
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
N-methyl-1-[4-(4-methylpiperidin-1-yl)quinolin-2-yl]methanamine
CID 63374156
N-[[1-(3-methoxypyrrolidin-1-yl)isoquinolin-4-yl]methyl]ethanamine
CID 106777093
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine (CID 106776173) is N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine is CNCc1cnc(N2CCCC(C)CC2)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine?
The InChIKey is IWBIBASSMOOITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-6-5-10-21(11-9-14)18-17-8-4-3-7-16(17)15(12-19-2)13-20-18/h3-4,7-8,13-14,19H,5-6,9-12H2,1-2H3.
What are the key properties of N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine?
N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine has a molecular weight of 283.42 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(4-methylazepan-1-yl)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106776173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).