N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine

C16H22N2O — CID 107038817

IUPACN-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1ccc2cnccc2c1
InChIInChI=1S/C16H22N2O/c1-2-9-19-10-3-7-17-12-14-4-5-16-13-18-8-6-15(16)11-14/h4-6,8,11,13,17H,2-3,7,9-10,12H2,1H3
InChIKeyYVOHWDDOAHXIMV-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.14
Rot. Bonds8

About N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine

N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine (PubChem CID 107038817) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
PubChem CID107038817
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC NameN-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine
SMILESCCCOCCCNCc1ccc2cnccc2c1
InChIInChI=1S/C16H22N2O/c1-2-9-19-10-3-7-17-12-14-4-5-16-13-18-8-6-15(16)11-14/h4-6,8,11,13,17H,2-3,7,9-10,12H2,1H3
InChIKeyYVOHWDDOAHXIMV-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
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

N-(isoquinolin-6-ylmethyl)-3-(2-methoxyethoxy)propan-1-amine
CID 107037714
N-(isoquinolin-6-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 107038897
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N-[(3-chloro-4-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 106817046
N-[(5-methyl-3-pyridinyl)methyl]-3-propoxypropan-1-amine
CID 102881006
N-(isoquinolin-6-ylmethyl)-2-phenylsulfanylethanamine
CID 107038074
N-(isoquinolin-6-ylmethyl)-2,2-dimethylheptan-1-amine
CID 107038630
N-(2,3-dihydro-1H-inden-5-ylmethyl)-3-propoxypropan-1-amine
CID 82943032
3-butoxy-N-[(3,4-dichlorophenyl)methyl]propan-1-amine
CID 17207813
N-[(4-methoxy-3-methylphenyl)methyl]-3-propoxypropan-1-amine
CID 82942119
N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
CID 107166793
ethyl 2-(isoquinolin-6-ylmethylamino)acetate
CID 107038009

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine (CID 107038817) is N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine is CCCOCCCNCc1ccc2cnccc2c1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine?
The InChIKey is YVOHWDDOAHXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-9-19-10-3-7-17-12-14-4-5-16-13-18-8-6-15(16)11-14/h4-6,8,11,13,17H,2-3,7,9-10,12H2,1H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine?
N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine has a molecular weight of 258.36 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 N-(isoquinolin-6-ylmethyl)-3-propoxypropan-1-amine is sourced from PubChem (CID 107038817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).