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

C17H24N2O — CID 106777324

IUPACN-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(OCCCC(C)C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-13(2)7-6-10-20-17-16-9-5-4-8-15(16)14(11-18-3)12-19-17/h4-5,8-9,12-13,18H,6-7,10-11H2,1-3H3
InChIKeyGPTRDUWFJPCWGP-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.77
Rot. Bonds7

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

N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine (PubChem CID 106777324) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
PubChem CID106777324
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
SMILESCNCc1cnc(OCCCC(C)C)c2ccccc12
InChIInChI=1S/C17H24N2O/c1-13(2)7-6-10-20-17-16-9-5-4-8-15(16)14(11-18-3)12-19-17/h4-5,8-9,12-13,18H,6-7,10-11H2,1-3H3
InChIKeyGPTRDUWFJPCWGP-UHFFFAOYSA-N
XLogP3.77
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777326
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
N,N-diethyl-2-[4-(methylaminomethyl)isoquinolin-1-yl]oxyethanamine
CID 106777424
N-methyl-1-[2-(4-methylpentoxy)-3-pyridinyl]methanamine
CID 62292560
1-(4-methylpentoxy)isoquinoline-4-carboxylic acid
CID 106765776
1-[5-chloro-6-(4-methylpentoxy)-3-pyridinyl]-N-methylmethanamine
CID 62292187
4-(methylaminomethyl)-N-propan-2-ylisoquinolin-1-amine
CID 106776781
N-methyl-1-(1-methylisoquinolin-4-yl)methanamine
CID 154939630
N-methyl-1-[1-(oxan-2-ylmethoxy)isoquinolin-4-yl]methanamine
CID 106777267
N-methyl-1-[4-methyl-2-(4-methylpentoxy)pyrimidin-5-yl]methanamine
CID 83188748
N-methyl-1-[1-(2-methylcyclohexyl)oxyisoquinolin-4-yl]methanamine
CID 106777271
3-methoxy-N-[(1-methoxyisoquinolin-4-yl)methyl]propan-1-amine
CID 163576010

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine?
The IUPAC name of N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine (CID 106777324) is N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine is CNCc1cnc(OCCCC(C)C)c2ccccc12.
What is the InChIKey of N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine?
The InChIKey is GPTRDUWFJPCWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(2)7-6-10-20-17-16-9-5-4-8-15(16)14(11-18-3)12-19-17/h4-5,8-9,12-13,18H,6-7,10-11H2,1-3H3.
What are the key properties of N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine?
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine has a molecular weight of 272.39 g/mol, XLogP of 3.77, 7 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-methylpentoxy)isoquinolin-4-yl]methanamine is sourced from PubChem (CID 106777324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).