2-(benzhydrylamino)-3-ethylpentanenitrile

C20H24N2 — CID 25017938

IUPAC2-(benzhydrylamino)-3-ethylpentanenitrile
SMILESCCC(CC)C(C#N)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2/c1-3-16(4-2)19(15-21)22-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,22H,3-4H2,1-2H3
InChIKeyTWAULGHICJBTQV-UHFFFAOYSA-N
MW292.43 g/mol
LogP4.69
Rot. Bonds7

About 2-(benzhydrylamino)-3-ethylpentanenitrile

2-(benzhydrylamino)-3-ethylpentanenitrile (PubChem CID 25017938) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(benzhydrylamino)-3-ethylpentanenitrile.

Molecular Properties

Compound Name2-(benzhydrylamino)-3-ethylpentanenitrile
PubChem CID25017938
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-(benzhydrylamino)-3-ethylpentanenitrile
SMILESCCC(CC)C(C#N)NC(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2/c1-3-16(4-2)19(15-21)22-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,22H,3-4H2,1-2H3
InChIKeyTWAULGHICJBTQV-UHFFFAOYSA-N
XLogP4.69
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(benzylamino)-3-ethylpentanenitrile
CID 100926480
2-(2-chloroanilino)-3-ethylpentanenitrile
CID 61318905
2-(benzhydrylamino)hexanenitrile
CID 135055567
(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
CID 135070081
(2S,3S,4S)-3,4-dimethyl-2-[[(1S)-1-phenylethyl]amino]hexanenitrile
CID 167570307
N-benzhydryl-1-chloropropan-1-amine
CID 70410579
3-[(pentan-3-ylamino)-phenylmethyl]benzonitrile
CID 139791723
(2R)-2-(benzhydrylamino)-2-(4-methylphenyl)acetonitrile
CID 71293872
ethane;2-phenylbutanenitrile
CID 91343198
3-(1-phenylpropylamino)butanenitrile
CID 62306250
N-benzhydrylethanamine;ethane
CID 142974710
(2R,3R)-2-(benzylamino)-3-phenylbutanenitrile
CID 10755680

Frequently Asked Questions

What is the IUPAC name of 2-(benzhydrylamino)-3-ethylpentanenitrile?
The IUPAC name of 2-(benzhydrylamino)-3-ethylpentanenitrile (CID 25017938) is 2-(benzhydrylamino)-3-ethylpentanenitrile.
What is the SMILES notation for 2-(benzhydrylamino)-3-ethylpentanenitrile?
The canonical SMILES for 2-(benzhydrylamino)-3-ethylpentanenitrile is CCC(CC)C(C#N)NC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(benzhydrylamino)-3-ethylpentanenitrile?
The InChIKey is TWAULGHICJBTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-3-16(4-2)19(15-21)22-20(17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14,16,19-20,22H,3-4H2,1-2H3.
What are the key properties of 2-(benzhydrylamino)-3-ethylpentanenitrile?
2-(benzhydrylamino)-3-ethylpentanenitrile has a molecular weight of 292.43 g/mol, XLogP of 4.69, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylamino)-3-ethylpentanenitrile is sourced from PubChem (CID 25017938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).