2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile

C17H26N2O — CID 116692941

IUPAC2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
SMILESCCCCCOCCC(C#N)(NCC)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-5-9-13-20-14-12-17(15-18,19-4-2)16-10-7-6-8-11-16/h6-8,10-11,19H,3-5,9,12-14H2,1-2H3
InChIKeyIHWABMFUTIIHEO-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.61
Rot. Bonds10

About 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile

2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile (PubChem CID 116692941) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
PubChem CID116692941
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile
SMILESCCCCCOCCC(C#N)(NCC)c1ccccc1
InChIInChI=1S/C17H26N2O/c1-3-5-9-13-20-14-12-17(15-18,19-4-2)16-10-7-6-8-11-16/h6-8,10-11,19H,3-5,9,12-14H2,1-2H3
InChIKeyIHWABMFUTIIHEO-UHFFFAOYSA-N
XLogP3.61
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(ethylamino)-2-phenyl-4-(2-propoxyethoxy)butanenitrile
CID 116692980
4-(2-ethoxyethoxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 116692834
4-butoxy-2-(methylamino)-2-phenylbutanenitrile
CID 116692934
4-(2-butoxyethoxy)-2-(methylamino)-2-phenylbutanenitrile
CID 116692809
2-(ethylamino)-4-methoxy-2-phenylbutanenitrile
CID 116692894
2-(ethylamino)-2-phenyl-3-(2-propoxyethoxy)propanenitrile
CID 63686596
2-(ethylamino)-2-phenyl-3-(3,3,3-trifluoropropoxy)propanenitrile
CID 82958723
4-(2-ethoxyethoxy)-2-phenyl-2-(propylamino)butanenitrile
CID 116692830
2-(ethylamino)-4-(3-methylbutan-2-yloxy)-2-phenylbutanenitrile
CID 116693006
4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-phenylbutanenitrile
CID 103489776
2-(ethylamino)-4-methylsulfanyl-2-phenylbutanenitrile
CID 116693238
2-(ethylamino)-4-[ethyl(2-methoxyethyl)amino]-2-phenylbutanenitrile
CID 116692501

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile?
The IUPAC name of 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile (CID 116692941) is 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile is CCCCCOCCC(C#N)(NCC)c1ccccc1.
What is the InChIKey of 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile?
The InChIKey is IHWABMFUTIIHEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-3-5-9-13-20-14-12-17(15-18,19-4-2)16-10-7-6-8-11-16/h6-8,10-11,19H,3-5,9,12-14H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile?
2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile has a molecular weight of 274.41 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-pentoxy-2-phenylbutanenitrile is sourced from PubChem (CID 116692941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).