N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine

C18H26N2O — CID 106777327

IUPACN-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine
SMILESCCC(C)(C)Oc1ncc(CNC(C)C)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-6-18(4,5)21-17-16-10-8-7-9-15(16)14(12-20-17)11-19-13(2)3/h7-10,12-13,19H,6,11H2,1-5H3
InChIKeyRNUZEJSJMCCKBA-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds6

About N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine

N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine (PubChem CID 106777327) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine
PubChem CID106777327
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine
SMILESCCC(C)(C)Oc1ncc(CNC(C)C)c2ccccc12
InChIInChI=1S/C18H26N2O/c1-6-18(4,5)21-17-16-10-8-7-9-15(16)14(12-20-17)11-19-13(2)3/h7-10,12-13,19H,6,11H2,1-5H3
InChIKeyRNUZEJSJMCCKBA-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776846
N-(2-methoxypropyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106777073
N-[[5-bromo-2-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]propan-2-amine
CID 62292181
1-(1-methoxyisoquinolin-4-yl)-N-methylmethanamine
CID 106777249
N-(2,2-difluoroethyl)-N-methyl-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776918
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
CID 106777587
N-[[1-(2-methylimidazol-1-yl)isoquinolin-4-yl]methyl]propan-2-amine
CID 106777129
N-[[5-chloro-6-(2-methylbutan-2-yloxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 62292007
N-[(1-pyridin-3-yloxyisoquinolin-4-yl)methyl]ethanamine
CID 106777370
N-[[2-(2-ethoxypropan-2-yl)-4-methylpyrimidin-5-yl]methyl]propan-2-amine
CID 114206482
N-[[2-[(2-chlorophenyl)methoxy]-3-methylphenyl]methyl]propan-2-amine
CID 115954081

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine (CID 106777327) is N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine is CCC(C)(C)Oc1ncc(CNC(C)C)c2ccccc12.
What is the InChIKey of N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine?
The InChIKey is RNUZEJSJMCCKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-6-18(4,5)21-17-16-10-8-7-9-15(16)14(12-20-17)11-19-13(2)3/h7-10,12-13,19H,6,11H2,1-5H3.
What are the key properties of N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine?
N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 106777327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).