3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile

C15H31N3O2 — CID 82960819

IUPAC3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile
SMILESCCOCCN(CCOCC)CC(C)(C#N)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-6-19-10-8-18(9-11-20-7-2)13-15(5,12-16)17-14(3)4/h14,17H,6-11,13H2,1-5H3
InChIKeyRUIQDBFPUSRKQQ-UHFFFAOYSA-N
MW285.43 g/mol
LogP1.64
Rot. Bonds12

About 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile

3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile (PubChem CID 82960819) has the molecular formula C15H31N3O2 and a molecular weight of 285.43 g/mol. Its IUPAC name is 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile.

Molecular Properties

Compound Name3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile
PubChem CID82960819
Molecular FormulaC15H31N3O2
Molecular Weight285.43 g/mol
Exact Mass285.24
IUPAC Name3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile
SMILESCCOCCN(CCOCC)CC(C)(C#N)NC(C)C
InChIInChI=1S/C15H31N3O2/c1-6-19-10-8-18(9-11-20-7-2)13-15(5,12-16)17-14(3)4/h14,17H,6-11,13H2,1-5H3
InChIKeyRUIQDBFPUSRKQQ-UHFFFAOYSA-N
XLogP1.64
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
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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Related Compounds

4-[bis(2-ethoxyethyl)amino]-2-(ethylamino)-2-methylbutanenitrile
CID 82959910
1-N,1-N-bis(2-ethoxyethyl)-3-N-ethyl-2,2-dimethylbutane-1,3-diamine
CID 82952294
1-N-(2-ethoxyethyl)-1-N,3-N-diethyl-2,2-dimethylbutane-1,3-diamine
CID 66453452
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
CID 63690873
4-(dimethylamino)-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64727261
N-(2-ethoxyethyl)-N-ethyl-2-methyl-N'-propan-2-yl-2-propylpropane-1,3-diamine
CID 63690537
4-[2-ethoxyethyl(ethyl)amino]butanenitrile
CID 63697379
2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
CID 64727930
4-[butyl(ethyl)amino]-2-methyl-2-(propan-2-ylamino)pentanenitrile
CID 64698958
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanenitrile
CID 81062003
4-[2-(3-methoxypropoxy)ethoxy]-2-methyl-2-(propan-2-ylamino)butanenitrile
CID 103179755
N-(2-ethoxyethyl)-N-ethyl-2-methylidene-N'-propan-2-ylpropane-1,3-diamine
CID 103070650

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile?
The IUPAC name of 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile (CID 82960819) is 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile.
What is the SMILES notation for 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile?
The canonical SMILES for 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile is CCOCCN(CCOCC)CC(C)(C#N)NC(C)C.
What is the InChIKey of 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile?
The InChIKey is RUIQDBFPUSRKQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O2/c1-6-19-10-8-18(9-11-20-7-2)13-15(5,12-16)17-14(3)4/h14,17H,6-11,13H2,1-5H3.
What are the key properties of 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile?
3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile has a molecular weight of 285.43 g/mol, XLogP of 1.64, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-ethoxyethyl)amino]-2-methyl-2-(propan-2-ylamino)propanenitrile is sourced from PubChem (CID 82960819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).