1-isoquinolin-1-yl-N-propylpropan-1-amine

C15H20N2 — CID 63948250

IUPAC1-isoquinolin-1-yl-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nccc2ccccc12
InChIInChI=1S/C15H20N2/c1-3-10-16-14(4-2)15-13-8-6-5-7-12(13)9-11-17-15/h5-9,11,14,16H,3-4,10H2,1-2H3
InChIKeyFCHYUKLVTLNOTB-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.69
Rot. Bonds5

About 1-isoquinolin-1-yl-N-propylpropan-1-amine

1-isoquinolin-1-yl-N-propylpropan-1-amine (PubChem CID 63948250) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-isoquinolin-1-yl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-isoquinolin-1-yl-N-propylpropan-1-amine
PubChem CID63948250
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-isoquinolin-1-yl-N-propylpropan-1-amine
SMILESCCCNC(CC)c1nccc2ccccc12
InChIInChI=1S/C15H20N2/c1-3-10-16-14(4-2)15-13-8-6-5-7-12(13)9-11-17-15/h5-9,11,14,16H,3-4,10H2,1-2H3
InChIKeyFCHYUKLVTLNOTB-UHFFFAOYSA-N
XLogP3.69
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclohexyl(isoquinolin-1-yl)methyl]propan-1-amine
CID 63948456
1-isoquinolin-1-ylpentylhydrazine
CID 105220521
1-isoquinolin-1-yl-N,3-dimethylhexan-1-amine
CID 63948446
N-ethyl-1-isoquinolin-1-ylpent-3-yn-1-amine
CID 63950687
(3R)-3-isoquinolin-1-yl-3-(methylamino)propan-1-ol
CID 97167713
N-ethyl-1-isoquinolin-1-yl-4-methylpent-4-en-1-amine
CID 114474759
(1R,2R)-1,2-di(isoquinolin-1-yl)ethane-1,2-diol
CID 125479415
(1-isoquinolin-1-yl-3-methylbut-3-enyl)hydrazine
CID 105220668
1-isoquinolin-1-yl-N-methyl-2-(1,3-thiazol-2-yl)ethanamine
CID 79824265
2-(4-bromophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63948036
2-(4-fluorophenyl)-1-isoquinolin-1-yl-N-methylethanamine
CID 63950074
N-[(4-fluorophenyl)-isoquinolin-1-ylmethyl]ethanamine
CID 63948856

Frequently Asked Questions

What is the IUPAC name of 1-isoquinolin-1-yl-N-propylpropan-1-amine?
The IUPAC name of 1-isoquinolin-1-yl-N-propylpropan-1-amine (CID 63948250) is 1-isoquinolin-1-yl-N-propylpropan-1-amine.
What is the SMILES notation for 1-isoquinolin-1-yl-N-propylpropan-1-amine?
The canonical SMILES for 1-isoquinolin-1-yl-N-propylpropan-1-amine is CCCNC(CC)c1nccc2ccccc12.
What is the InChIKey of 1-isoquinolin-1-yl-N-propylpropan-1-amine?
The InChIKey is FCHYUKLVTLNOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-10-16-14(4-2)15-13-8-6-5-7-12(13)9-11-17-15/h5-9,11,14,16H,3-4,10H2,1-2H3.
What are the key properties of 1-isoquinolin-1-yl-N-propylpropan-1-amine?
1-isoquinolin-1-yl-N-propylpropan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-isoquinolin-1-yl-N-propylpropan-1-amine is sourced from PubChem (CID 63948250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).