2-isoquinolin-4-ylpropan-1-amine

C12H14N2 — CID 81020930

IUPAC2-isoquinolin-4-ylpropan-1-amine
SMILESCC(CN)c1cncc2ccccc12
InChIInChI=1S/C12H14N2/c1-9(6-13)12-8-14-7-10-4-2-3-5-11(10)12/h2-5,7-9H,6,13H2,1H3
InChIKeyPPGOWOKEBYGOLL-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.30
Rot. Bonds2

About 2-isoquinolin-4-ylpropan-1-amine

2-isoquinolin-4-ylpropan-1-amine (PubChem CID 81020930) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-isoquinolin-4-ylpropan-1-amine.

Molecular Properties

Compound Name2-isoquinolin-4-ylpropan-1-amine
PubChem CID81020930
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-isoquinolin-4-ylpropan-1-amine
SMILESCC(CN)c1cncc2ccccc12
InChIInChI=1S/C12H14N2/c1-9(6-13)12-8-14-7-10-4-2-3-5-11(10)12/h2-5,7-9H,6,13H2,1H3
InChIKeyPPGOWOKEBYGOLL-UHFFFAOYSA-N
XLogP2.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-bromopentan-2-yl)isoquinoline
CID 64720588
3-isoquinolin-4-ylbutanal
CID 130026530
(1R)-1-isoquinolin-4-ylethanol
CID 102064621
cerium(3+);2-naphthalen-1-ylpropan-1-amine;trichloride;hydrate
CID 159849461
2-ethyl-1-isoquinolin-4-ylbutan-1-amine
CID 115856307
2-isoquinolin-4-yl-2-(4-methylpiperazin-1-yl)ethanamine
CID 104504037
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875
1-isoquinolin-4-ylpentan-1-ol
CID 63938213
1-isoquinolin-4-yl-3,3-dimethylbutan-1-amine
CID 63940367
1-isoquinolin-4-yl-N-(2-methoxyethyl)-N-methylethane-1,2-diamine
CID 104504092
(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
CID 105213889
2-ethylsulfanyl-1-isoquinolin-4-ylethanamine
CID 65128258

Frequently Asked Questions

What is the IUPAC name of 2-isoquinolin-4-ylpropan-1-amine?
The IUPAC name of 2-isoquinolin-4-ylpropan-1-amine (CID 81020930) is 2-isoquinolin-4-ylpropan-1-amine.
What is the SMILES notation for 2-isoquinolin-4-ylpropan-1-amine?
The canonical SMILES for 2-isoquinolin-4-ylpropan-1-amine is CC(CN)c1cncc2ccccc12.
What is the InChIKey of 2-isoquinolin-4-ylpropan-1-amine?
The InChIKey is PPGOWOKEBYGOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9(6-13)12-8-14-7-10-4-2-3-5-11(10)12/h2-5,7-9H,6,13H2,1H3.
What are the key properties of 2-isoquinolin-4-ylpropan-1-amine?
2-isoquinolin-4-ylpropan-1-amine has a molecular weight of 186.26 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-isoquinolin-4-ylpropan-1-amine is sourced from PubChem (CID 81020930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).