3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine

C17H22N2O — CID 62823710

IUPAC3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOCC2CC2)c2ccncc2c1
InChIInChI=1S/C17H22N2O/c1-3-15(17-7-9-19-12-16(17)4-1)11-18-8-2-10-20-13-14-5-6-14/h1,3-4,7,9,12,14,18H,2,5-6,8,10-11,13H2
InChIKeyUTOMZBMGDYKROF-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine

3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine (PubChem CID 62823710) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine
PubChem CID62823710
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCOCC2CC2)c2ccncc2c1
InChIInChI=1S/C17H22N2O/c1-3-15(17-7-9-19-12-16(17)4-1)11-18-8-2-10-20-13-14-5-6-14/h1,3-4,7,9,12,14,18H,2,5-6,8,10-11,13H2
InChIKeyUTOMZBMGDYKROF-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
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

2-butoxy-N-(isoquinolin-5-ylmethyl)ethanamine
CID 62824958
N-(isoquinolin-5-ylmethyl)-5-methylsulfanylpentan-1-amine
CID 104923096
N-(isoquinolin-5-ylmethyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 62823909
N-(isoquinolin-5-ylmethyl)cyclopropanamine
CID 58170897
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
N-(isoquinolin-5-ylmethyl)-2-(oxolan-2-yl)ethanamine
CID 62824788
ethyl 4-(isoquinolin-5-ylmethylamino)butanoate
CID 64580463
3-(cyclopropylmethoxy)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119109389
N-(isoquinolin-5-ylmethyl)-1-(1-methylpyrrolidin-3-yl)methanamine
CID 55118761
N-(isoquinolin-5-ylmethyl)cyclopentanamine
CID 55119141
N-(isoquinolin-5-ylmethyl)cyclooctanamine
CID 62822995
1-(2,2-dimethylcyclopropyl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 113381730

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine (CID 62823710) is 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine is c1cc(CNCCCOCC2CC2)c2ccncc2c1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine?
The InChIKey is UTOMZBMGDYKROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-15(17-7-9-19-12-16(17)4-1)11-18-8-2-10-20-13-14-5-6-14/h1,3-4,7,9,12,14,18H,2,5-6,8,10-11,13H2.
What are the key properties of 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine?
3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine has a molecular weight of 270.38 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-(isoquinolin-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 62823710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).