4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile

C15H30N2O — CID 64727764

IUPAC4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCCCC(CC)COC(C)CC(C)(C#N)NC
InChIInChI=1S/C15H30N2O/c1-6-8-9-14(7-2)11-18-13(3)10-15(4,12-16)17-5/h13-14,17H,6-11H2,1-5H3
InChIKeyQJEVEDYLKIWFBX-UHFFFAOYSA-N
MW254.42 g/mol
LogP3.50
Rot. Bonds10

About 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile

4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile (PubChem CID 64727764) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile.

Molecular Properties

Compound Name4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile
PubChem CID64727764
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile
SMILESCCCCC(CC)COC(C)CC(C)(C#N)NC
InChIInChI=1S/C15H30N2O/c1-6-8-9-14(7-2)11-18-13(3)10-15(4,12-16)17-5/h13-14,17H,6-11H2,1-5H3
InChIKeyQJEVEDYLKIWFBX-UHFFFAOYSA-N
XLogP3.50
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-(methylamino)-4-octoxypentanenitrile
CID 64728157
methyl 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanoate
CID 64706936
2-(2-ethylhexoxy)-N-methylpropan-1-amine
CID 62336461
2-(2-ethylhexoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 62598118
3-(2-ethylhexoxy)-N,2-dimethylbut-3-en-2-amine
CID 134238611
2-methyl-2-(methylamino)-4-[methyl(pentyl)amino]pentanenitrile
CID 64726076
3-(difluoromethoxymethyl)heptane
CID 162429038
2-methyl-4-(2-propan-2-yloxyethoxy)-2-(propylamino)pentanenitrile
CID 64726379
3-(1-ethoxyethoxymethyl)heptane
CID 173293823
3-(2-ethylhexoxy)-2-methylpropanenitrile
CID 43367482
N-tert-butyl-2-(2-ethylhexoxy)butan-1-amine
CID 63492820
3-(heptan-3-yloxymethyl)heptane
CID 90211738

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile?
The IUPAC name of 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile (CID 64727764) is 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile.
What is the SMILES notation for 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile?
The canonical SMILES for 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile is CCCCC(CC)COC(C)CC(C)(C#N)NC.
What is the InChIKey of 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile?
The InChIKey is QJEVEDYLKIWFBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-6-8-9-14(7-2)11-18-13(3)10-15(4,12-16)17-5/h13-14,17H,6-11H2,1-5H3.
What are the key properties of 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile?
4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile has a molecular weight of 254.42 g/mol, XLogP of 3.50, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylhexoxy)-2-methyl-2-(methylamino)pentanenitrile is sourced from PubChem (CID 64727764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).