4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile

C15H31N3O2 — CID 82959910

IUPAC4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN(CCOCC)CCOCC
InChIInChI=1S/C15H31N3O2/c1-5-17-15(4,14-16)8-9-18(10-12-19-6-2)11-13-20-7-3/h17H,5-13H2,1-4H3
InChIKeyTYLUJCFTGXSRTO-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.64
Rot. Bonds13

About 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile

4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile (PubChem CID 82959910) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile.

Molecular Properties

Compound Name4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
PubChem CID82959910
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
SMILESCCNC(C)(C#N)CCN(CCOCC)CCOCC
InChIInChI=1S/C15H31N3O2/c1-5-17-15(4,14-16)8-9-18(10-12-19-6-2)11-13-20-7-3/h17H,5-13H2,1-4H3
InChIKeyTYLUJCFTGXSRTO-UHFFFAOYSA-N
XLogP1.64
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The IUPAC name of 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile (CID 82959910) is 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile.
What is the SMILES notation for 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The canonical SMILES for 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile is CCNC(C)(C#N)CCN(CCOCC)CCOCC.
What is the InChIKey of 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
The InChIKey is TYLUJCFTGXSRTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-5-17-15(4,14-16)8-9-18(10-12-19-6-2)11-13-20-7-3/h17H,5-13H2,1-4H3.
What are the key properties of 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile?
4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile has a molecular weight of 285.43 g/mol, XLogP of 1.64, 13 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile is sourced from PubChem (CID 82959910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).