2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile

C16H18N2 — CID 23618057

IUPAC2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile
SMILESCN(C)CCc1c(CC#N)ccc2ccccc12
InChIInChI=1S/C16H18N2/c1-18(2)12-10-16-14(9-11-17)8-7-13-5-3-4-6-15(13)16/h3-8H,9-10,12H2,1-2H3
InChIKeyUCOWECAPNWXUCI-UHFFFAOYSA-N
MW238.33 g/mol
LogP3.01
Rot. Bonds4

About 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile

2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile (PubChem CID 23618057) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile
PubChem CID23618057
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile
SMILESCN(C)CCc1c(CC#N)ccc2ccccc12
InChIInChI=1S/C16H18N2/c1-18(2)12-10-16-14(9-11-17)8-7-13-5-3-4-6-15(13)16/h3-8H,9-10,12H2,1-2H3
InChIKeyUCOWECAPNWXUCI-UHFFFAOYSA-N
XLogP3.01
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminonaphthalen-1-yl)acetonitrile
CID 119016645
2-[1-(difluoromethyl)naphthalen-2-yl]acetonitrile
CID 118852879
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
3-(2-methoxynaphthalen-1-yl)-N,N-dimethylpropan-1-amine
CID 170865305
ethane;2-isoquinolin-4-ylacetonitrile
CID 171567075
2-[2-(trifluoromethyl)naphthalen-1-yl]acetonitrile
CID 119014714
1,2-dibutylnaphthalene;naphthalene
CID 157292740
2-(2-nitronaphthalen-1-yl)acetonitrile
CID 11321809
2-pentyl-1-propylnaphthalene
CID 173391876
1,2-didecylnaphthalene
CID 22410831
3-[methyl(naphthalen-1-yl)amino]propanenitrile
CID 115230840
1,2-di(icosyl)naphthalene
CID 90782201

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile?
The IUPAC name of 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile (CID 23618057) is 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile.
What is the SMILES notation for 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile?
The canonical SMILES for 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile is CN(C)CCc1c(CC#N)ccc2ccccc12.
What is the InChIKey of 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile?
The InChIKey is UCOWECAPNWXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-18(2)12-10-16-14(9-11-17)8-7-13-5-3-4-6-15(13)16/h3-8H,9-10,12H2,1-2H3.
What are the key properties of 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile?
2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile has a molecular weight of 238.33 g/mol, XLogP of 3.01, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(dimethylamino)ethyl]naphthalen-2-yl]acetonitrile is sourced from PubChem (CID 23618057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).