(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile

C19H24N2 — CID 125482749

IUPAC(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
SMILESCCC[C@@](C#N)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H24N2/c1-4-12-19(15-20,13-14-21(2)3)18-11-7-9-16-8-5-6-10-17(16)18/h5-11H,4,12-14H2,1-3H3/t19-/m0/s1
InChIKeyJLLGTUIYRCNOFW-IBGZPJMESA-N
MW280.42 g/mol
LogP4.35
Rot. Bonds6

About (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile

(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile (PubChem CID 125482749) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile.

Molecular Properties

Compound Name(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
PubChem CID125482749
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile
SMILESCCC[C@@](C#N)(CCN(C)C)c1cccc2ccccc12
InChIInChI=1S/C19H24N2/c1-4-12-19(15-20,13-14-21(2)3)18-11-7-9-16-8-5-6-10-17(16)18/h5-11H,4,12-14H2,1-3H3/t19-/m0/s1
InChIKeyJLLGTUIYRCNOFW-IBGZPJMESA-N
XLogP4.35
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[di(propan-2-yl)amino]-2-[2-[di(propan-2-yl)amino]ethyl]-2-naphthalen-1-ylpentanenitrile
CID 23347233
4-(dimethylamino)-2-[2-(dimethylamino)ethyl]-2-phenylbutanenitrile;hydrochloride
CID 54599725
(2S)-2-ethyl-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125479768
2-(2-chlorophenyl)-2-[2-(dimethylamino)ethyl]-4-phenylbutanenitrile
CID 13316570
4-naphthalen-1-ylheptan-4-ol
CID 114866255
(2R)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480002
(2S)-2-[(2S)-butan-2-yl]-N',N'-dimethyl-2-naphthalen-1-ylbutane-1,4-diamine
CID 125480001
2-phenyl-2-propylpentanenitrile
CID 12754193
2-hydroxy-2-naphthalen-1-ylpropanenitrile
CID 102137680
1-(4-naphthalen-1-yloctan-4-yl)naphthalene
CID 174772788
2-[2-(dimethylamino)ethyl]-3-methyl-2-naphthalen-1-ylpentanoic acid;hydrochloride
CID 134105469
2-ethyl-2-(2-phenylphenyl)pentanenitrile
CID 68777509

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile?
The IUPAC name of (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile (CID 125482749) is (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile.
What is the SMILES notation for (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile?
The canonical SMILES for (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile is CCC[C@@](C#N)(CCN(C)C)c1cccc2ccccc12.
What is the InChIKey of (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile?
The InChIKey is JLLGTUIYRCNOFW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H24N2/c1-4-12-19(15-20,13-14-21(2)3)18-11-7-9-16-8-5-6-10-17(16)18/h5-11H,4,12-14H2,1-3H3/t19-/m0/s1.
What are the key properties of (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile?
(2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile has a molecular weight of 280.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(dimethylamino)ethyl]-2-naphthalen-1-ylpentanenitrile is sourced from PubChem (CID 125482749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).