3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile

C14H18N2 — CID 84783563

IUPAC3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile
SMILESCCN1CCc2cc(CCC#N)ccc2C1
InChIInChI=1S/C14H18N2/c1-2-16-9-7-13-10-12(4-3-8-15)5-6-14(13)11-16/h5-6,10H,2-4,7,9,11H2,1H3
InChIKeyZUVFCZGWOLTTIM-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.52
Rot. Bonds3

About 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile

3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile (PubChem CID 84783563) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile.

Molecular Properties

Compound Name3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile
PubChem CID84783563
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile
SMILESCCN1CCc2cc(CCC#N)ccc2C1
InChIInChI=1S/C14H18N2/c1-2-16-9-7-13-10-12(4-3-8-15)5-6-14(13)11-16/h5-6,10H,2-4,7,9,11H2,1H3
InChIKeyZUVFCZGWOLTTIM-UHFFFAOYSA-N
XLogP2.52
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)acetic acid
CID 84786847
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
2-ethyl-6-nitroso-3,4-dihydro-1H-isoquinoline
CID 87982262
1-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)cyclopropan-1-amine
CID 84784940
2-benzyl-6-butyl-3,4-dihydro-1H-isoquinoline
CID 15519083
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline
CID 15519082
2-benzyl-6-ethyl-3,4-dihydro-1H-isoquinoline;ethane
CID 145118805
6-butyl-2-methylsulfanyl-3,4-dihydro-1H-isoquinoline
CID 168998013
3-(1-methyl-2-oxo-3,4-dihydroquinolin-6-yl)propanenitrile
CID 82471110
ethene;2-ethyl-6-propan-2-yloxy-3,4-dihydro-1H-isoquinoline
CID 144821070
5-(3,4-dihydro-1H-isoquinolin-2-yl)pentanenitrile
CID 60684058
2-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)ethanol
CID 105445307

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile?
The IUPAC name of 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile (CID 84783563) is 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile.
What is the SMILES notation for 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile?
The canonical SMILES for 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile is CCN1CCc2cc(CCC#N)ccc2C1.
What is the InChIKey of 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile?
The InChIKey is ZUVFCZGWOLTTIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-16-9-7-13-10-12(4-3-8-15)5-6-14(13)11-16/h5-6,10H,2-4,7,9,11H2,1H3.
What are the key properties of 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile?
3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-3,4-dihydro-1H-isoquinolin-6-yl)propanenitrile is sourced from PubChem (CID 84783563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).