2-(dimethylamino)-2-naphthalen-1-ylacetonitrile

C14H14N2 — CID 13444

IUPAC2-(dimethylamino)-2-naphthalen-1-ylacetonitrile
SMILESCN(C)C(C#N)c1cccc2ccccc12
InChIInChI=1S/C14H14N2/c1-16(2)14(10-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,1-2H3
InChIKeyIQENPHLYJGUASO-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.97
Rot. Bonds2

About 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile

2-(dimethylamino)-2-naphthalen-1-ylacetonitrile (PubChem CID 13444) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile.

Molecular Properties

Compound Name2-(dimethylamino)-2-naphthalen-1-ylacetonitrile
PubChem CID13444
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name2-(dimethylamino)-2-naphthalen-1-ylacetonitrile
SMILESCN(C)C(C#N)c1cccc2ccccc12
InChIInChI=1S/C14H14N2/c1-16(2)14(10-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,1-2H3
InChIKeyIQENPHLYJGUASO-UHFFFAOYSA-N
XLogP2.97
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Terbinafine
CID 1549008
Naftifine
CID 47641
Naftifine Hydrochloride
CID 5281098
1-(1-Naphthyl)ethylamine
CID 98089
N-Methyl-N-naphthylmethylamine
CID 84474
Dimethyldodecyl(1-naphthylmethyl)ammonium chloride
CID 61271
827-36-1
CID 13227
Methyl[(naphthalen-2-yl)methyl]amine
CID 541935
2-((Dimethylamino)methyl)benzonitrile
CID 4962636
1-Naphthalenemethanamine, alpha-methyl-, (alphaS)-
CID 66325
(+)-1-(1-Naphthyl)ethylamine
CID 2724264
N-methyl-N-(1-naphthalenylmethyl)-3-phenyl-2-propen-1-amine
CID 73342

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile?
The IUPAC name of 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile (CID 13444) is 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile.
What is the SMILES notation for 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile?
The canonical SMILES for 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile is CN(C)C(C#N)c1cccc2ccccc12.
What is the InChIKey of 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile?
The InChIKey is IQENPHLYJGUASO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2/c1-16(2)14(10-15)13-9-5-7-11-6-3-4-8-12(11)13/h3-9,14H,1-2H3.
What are the key properties of 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile?
2-(dimethylamino)-2-naphthalen-1-ylacetonitrile has a molecular weight of 210.28 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-naphthalen-1-ylacetonitrile is sourced from PubChem (CID 13444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).