N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine

C17H23N3 — CID 62280560

IUPACN-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
SMILESCNCc1cc2ccccc2c(N(C)C2CCCC2)n1
InChIInChI=1S/C17H23N3/c1-18-12-14-11-13-7-3-6-10-16(13)17(19-14)20(2)15-8-4-5-9-15/h3,6-7,10-11,15,18H,4-5,8-9,12H2,1-2H3
InChIKeySGFNVKVPYZTPTH-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.33
Rot. Bonds4

About N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine

N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine (PubChem CID 62280560) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine.

Molecular Properties

Compound NameN-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
PubChem CID62280560
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine
SMILESCNCc1cc2ccccc2c(N(C)C2CCCC2)n1
InChIInChI=1S/C17H23N3/c1-18-12-14-11-13-7-3-6-10-16(13)17(19-14)20(2)15-8-4-5-9-15/h3,6-7,10-11,15,18H,4-5,8-9,12H2,1-2H3
InChIKeySGFNVKVPYZTPTH-UHFFFAOYSA-N
XLogP3.33
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
The IUPAC name of N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine (CID 62280560) is N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine.
What is the SMILES notation for N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
The canonical SMILES for N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine is CNCc1cc2ccccc2c(N(C)C2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
The InChIKey is SGFNVKVPYZTPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-18-12-14-11-13-7-3-6-10-16(13)17(19-14)20(2)15-8-4-5-9-15/h3,6-7,10-11,15,18H,4-5,8-9,12H2,1-2H3.
What are the key properties of N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine?
N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-methyl-3-(methylaminomethyl)isoquinolin-1-amine is sourced from PubChem (CID 62280560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).