4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride

C21H27ClN2 — CID 3032221

IUPAC4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride
SMILESCCN(CC)C(C)CC(C#N)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H26N2.ClH/c1-4-23(5-2)18(3)16-21(17-22,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16H2,1-3H3;1H
InChIKeyMOUUGMQUUBSAOF-UHFFFAOYSA-N
MW342.91 g/mol
LogP5.04
Rot. Bonds7

About 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride

4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride (PubChem CID 3032221) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride.

Molecular Properties

Compound Name4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride
PubChem CID3032221
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride
SMILESCCN(CC)C(C)CC(C#N)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H26N2.ClH/c1-4-23(5-2)18(3)16-21(17-22,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16H2,1-3H3;1H
InChIKeyMOUUGMQUUBSAOF-UHFFFAOYSA-N
XLogP5.04
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.91
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-cyano-4,4-diphenylbutan-2-yl)carbamic acid
CID 174189297
2-amino-4-[ethyl(propan-2-yl)amino]-2-phenylbutanenitrile
CID 116692380
2,2-diphenyloctadecanenitrile
CID 154150395
3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-(methylamino)-2-phenylpropanenitrile
CID 103190848
N,N-diethyl-1,1-diphenyl-1-silylpropan-2-amine
CID 173065028
2,2-diphenylpent-4-enenitrile
CID 10681154
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
CID 64696931
6,6-dimethyl-2,2-diphenylheptanenitrile
CID 122487139
N,N,N',N'-tetraethyl-1,2-diphenylethane-1,2-diamine
CID 595707
N,N-diethyl-1-phenylpropan-2-amine
CID 521361
3,5-dihydroxy-5,5-diphenylpentanenitrile
CID 102249687
(2-cyano-2,2-diphenylethyl) dihydrogen phosphite
CID 175520669

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride?
The IUPAC name of 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride (CID 3032221) is 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride.
What is the SMILES notation for 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride?
The canonical SMILES for 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride is CCN(CC)C(C)CC(C#N)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride?
The InChIKey is MOUUGMQUUBSAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2.ClH/c1-4-23(5-2)18(3)16-21(17-22,19-12-8-6-9-13-19)20-14-10-7-11-15-20;/h6-15,18H,4-5,16H2,1-3H3;1H.
What are the key properties of 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride?
4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride has a molecular weight of 342.91 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2,2-diphenylpentanenitrile;hydrochloride is sourced from PubChem (CID 3032221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).