3-isoquinolin-5-yl-2-methylpentan-3-amine

C15H20N2 — CID 55119232

IUPAC3-isoquinolin-5-yl-2-methylpentan-3-amine
SMILESCCC(N)(c1cccc2cnccc12)C(C)C
InChIInChI=1S/C15H20N2/c1-4-15(16,11(2)3)14-7-5-6-12-10-17-9-8-13(12)14/h5-11H,4,16H2,1-3H3
InChIKeyKTECJZBRSXWDCM-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.45
Rot. Bonds3

About 3-isoquinolin-5-yl-2-methylpentan-3-amine

3-isoquinolin-5-yl-2-methylpentan-3-amine (PubChem CID 55119232) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-isoquinolin-5-yl-2-methylpentan-3-amine.

Molecular Properties

Compound Name3-isoquinolin-5-yl-2-methylpentan-3-amine
PubChem CID55119232
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-isoquinolin-5-yl-2-methylpentan-3-amine
SMILESCCC(N)(c1cccc2cnccc12)C(C)C
InChIInChI=1S/C15H20N2/c1-4-15(16,11(2)3)14-7-5-6-12-10-17-9-8-13(12)14/h5-11H,4,16H2,1-3H3
InChIKeyKTECJZBRSXWDCM-UHFFFAOYSA-N
XLogP3.45
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-isoquinolin-5-yl-3-methylbutan-2-amine
CID 62811791
2-methyl-3-(4-methyl-3-pyridinyl)pentan-3-amine
CID 66274159
2-isoquinolin-5-yl-2-methylpropan-1-amine
CID 81020773
2-isoquinolin-5-yl-3-methylpentan-2-ol
CID 62813485
5-(2-methylpropan-2-yl)isoquinoline
CID 140752931
2-fluoro-2-isoquinolin-5-ylpropan-1-amine
CID 112565254
1-(4-fluorophenyl)-1-isoquinolin-5-ylethanamine
CID 62813146
(1S)-1-isoquinolin-5-ylpropan-1-amine
CID 55253697
1-isoquinolin-5-yl-2-methylbutan-1-amine
CID 63719434
1-(3-fluorophenyl)-2-isoquinolin-5-ylpropan-2-amine
CID 114833996
3-isoquinolin-8-ylpentan-3-ol
CID 103142702
(1-isoquinolin-5-yl-2,2-dimethylbutyl)hydrazine
CID 105303126

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-yl-2-methylpentan-3-amine?
The IUPAC name of 3-isoquinolin-5-yl-2-methylpentan-3-amine (CID 55119232) is 3-isoquinolin-5-yl-2-methylpentan-3-amine.
What is the SMILES notation for 3-isoquinolin-5-yl-2-methylpentan-3-amine?
The canonical SMILES for 3-isoquinolin-5-yl-2-methylpentan-3-amine is CCC(N)(c1cccc2cnccc12)C(C)C.
What is the InChIKey of 3-isoquinolin-5-yl-2-methylpentan-3-amine?
The InChIKey is KTECJZBRSXWDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-4-15(16,11(2)3)14-7-5-6-12-10-17-9-8-13(12)14/h5-11H,4,16H2,1-3H3.
What are the key properties of 3-isoquinolin-5-yl-2-methylpentan-3-amine?
3-isoquinolin-5-yl-2-methylpentan-3-amine has a molecular weight of 228.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-yl-2-methylpentan-3-amine is sourced from PubChem (CID 55119232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).