N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine

C18H24N2O — CID 106777587

IUPACN-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1ncc(CNC2CC2)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-3-6-13(2)21-18-17-8-5-4-7-16(17)14(12-20-18)11-19-15-9-10-15/h4-5,7-8,12-13,15,19H,3,6,9-11H2,1-2H3
InChIKeyHAEMHLJOWLCVAF-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.05
Rot. Bonds7

About N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine

N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine (PubChem CID 106777587) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
PubChem CID106777587
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine
SMILESCCCC(C)Oc1ncc(CNC2CC2)c2ccccc12
InChIInChI=1S/C18H24N2O/c1-3-6-13(2)21-18-17-8-5-4-7-16(17)14(12-20-18)11-19-15-9-10-15/h4-5,7-8,12-13,15,19H,3,6,9-11H2,1-2H3
InChIKeyHAEMHLJOWLCVAF-UHFFFAOYSA-N
XLogP4.05
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[(cyclopropylamino)methyl]isoquinolin-1-amine
CID 106776790
N-butyl-4-[(cyclopropylamino)methyl]-N-methylisoquinolin-1-amine
CID 106774817
N-[(4-methoxy-2-pentan-2-yloxyphenyl)methyl]cyclopropanamine
CID 107890884
N-[[6-methyl-4-(2-methylpentoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 103285460
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclopropanamine
CID 62290526
N-methyl-1-[1-(4-methylpentoxy)isoquinolin-4-yl]methanamine
CID 106777324
1-(5-chloro-6-pentan-2-yloxy-3-pyridinyl)-N-methylmethanamine
CID 102986084
4-[(cyclopropylamino)methyl]-N-methyl-N-prop-2-ynylisoquinolin-1-amine
CID 106776535
N-[[1-(2-methylbutan-2-yloxy)isoquinolin-4-yl]methyl]propan-2-amine
CID 106777327
N-[[4-(4-methylpentan-2-yloxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 114216966
4-methyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]cyclohexan-1-amine
CID 61373850
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368

Frequently Asked Questions

What is the IUPAC name of N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine (CID 106777587) is N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine is CCCC(C)Oc1ncc(CNC2CC2)c2ccccc12.
What is the InChIKey of N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine?
The InChIKey is HAEMHLJOWLCVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-6-13(2)21-18-17-8-5-4-7-16(17)14(12-20-18)11-19-15-9-10-15/h4-5,7-8,12-13,15,19H,3,6,9-11H2,1-2H3.
What are the key properties of N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine?
N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine has a molecular weight of 284.40 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-pentan-2-yloxyisoquinolin-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 106777587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).