2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile

C14H18N2 — CID 84783564

IUPAC2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile
SMILESCC(C)N1CCc2cccc(CC#N)c2C1
InChIInChI=1S/C14H18N2/c1-11(2)16-9-7-13-5-3-4-12(6-8-15)14(13)10-16/h3-5,11H,6-7,9-10H2,1-2H3
InChIKeyARCZHPWJFNKVAH-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.52
Rot. Bonds2

About 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile

2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile (PubChem CID 84783564) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile
PubChem CID84783564
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile
SMILESCC(C)N1CCc2cccc(CC#N)c2C1
InChIInChI=1S/C14H18N2/c1-11(2)16-9-7-13-5-3-4-12(6-8-15)14(13)10-16/h3-5,11H,6-7,9-10H2,1-2H3
InChIKeyARCZHPWJFNKVAH-UHFFFAOYSA-N
XLogP2.52
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)ethanamine
CID 84786382
3-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)propan-1-amine
CID 84795685
2-propan-2-yl-8-(trifluoromethyl)-3,4-dihydro-1H-isoquinoline
CID 123148647
8-tert-butyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 155242264
(2-propan-2-yl-1,3-dihydroisoindol-4-yl)methanol
CID 101477066
5-methyl-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 110456721
N-tert-butyl-2-methyl-6-morpholin-4-yl-3-[(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)methyl]imidazo[1,2-b]pyridazin-8-amine
CID 121426406
1-(8-propan-2-yl-3,4-dihydro-1H-isoquinolin-2-yl)ethanethiol
CID 155043779
2-(8-chloro-3,4-dihydro-1H-isoquinolin-2-yl)propanoic acid
CID 82582283
2-(4-phenylbutan-2-yl)-3,4-dihydro-1H-isoquinolin-8-amine
CID 114522154
8-butan-2-yl-2-(1-methylsulfanylethyl)-3,4-dihydro-1H-isoquinoline
CID 146518983
5-[(2-methylpropan-2-yl)oxy]-2-propan-2-yl-3,4-dihydro-1H-isoquinoline
CID 139364349

Frequently Asked Questions

What is the IUPAC name of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile?
The IUPAC name of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile (CID 84783564) is 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile.
What is the SMILES notation for 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile?
The canonical SMILES for 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile is CC(C)N1CCc2cccc(CC#N)c2C1.
What is the InChIKey of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile?
The InChIKey is ARCZHPWJFNKVAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(2)16-9-7-13-5-3-4-12(6-8-15)14(13)10-16/h3-5,11H,6-7,9-10H2,1-2H3.
What are the key properties of 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile?
2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile has a molecular weight of 214.31 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propan-2-yl-3,4-dihydro-1H-isoquinolin-8-yl)acetonitrile is sourced from PubChem (CID 84783564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).