N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine

C17H23N3 — CID 107038742

IUPACN-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc2cnccc2c1)N1CCCC1
InChIInChI=1S/C17H23N3/c1-14(20-8-2-3-9-20)11-19-12-15-4-5-17-13-18-7-6-16(17)10-15/h4-7,10,13-14,19H,2-3,8-9,11-12H2,1H3
InChIKeyPWNUFYLOQNEGLO-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.81
Rot. Bonds5

About N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine

N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine (PubChem CID 107038742) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
PubChem CID107038742
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC NameN-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
SMILESCC(CNCc1ccc2cnccc2c1)N1CCCC1
InChIInChI=1S/C17H23N3/c1-14(20-8-2-3-9-20)11-19-12-15-4-5-17-13-18-7-6-16(17)10-15/h4-7,10,13-14,19H,2-3,8-9,11-12H2,1H3
InChIKeyPWNUFYLOQNEGLO-UHFFFAOYSA-N
XLogP2.81
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(isoquinolin-6-ylmethylamino)-3-methylbutan-1-ol
CID 107038561
N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
1-N-(isoquinolin-6-ylmethyl)-2-N,2-N,4-trimethylpentane-1,2-diamine
CID 107037727
N-(isoquinolin-6-ylmethyl)-1-pyridin-4-ylmethanamine
CID 107037686
N-(isoquinolin-6-ylmethyl)-2,3-dimethoxypropan-1-amine
CID 107166793
N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 113454150
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 105401420
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
(1S)-1-cyclopentyl-N-(isoquinolin-6-ylmethyl)ethanamine
CID 107038710
1-isoquinolin-6-yl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 107166584

Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine?
The IUPAC name of N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine (CID 107038742) is N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine.
What is the SMILES notation for N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine?
The canonical SMILES for N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine is CC(CNCc1ccc2cnccc2c1)N1CCCC1.
What is the InChIKey of N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine?
The InChIKey is PWNUFYLOQNEGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-14(20-8-2-3-9-20)11-19-12-15-4-5-17-13-18-7-6-16(17)10-15/h4-7,10,13-14,19H,2-3,8-9,11-12H2,1H3.
What are the key properties of N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine?
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine is sourced from PubChem (CID 107038742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).