4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile

C11H22N2O2 — CID 103489740

IUPAC4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOC(C)COCC
InChIInChI=1S/C11H22N2O2/c1-4-13-11(8-12)6-7-15-10(3)9-14-5-2/h10-11,13H,4-7,9H2,1-3H3
InChIKeyOJSSPJMMEZXYRM-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.32
Rot. Bonds9

About 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile

4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile (PubChem CID 103489740) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile
PubChem CID103489740
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)CCOC(C)COCC
InChIInChI=1S/C11H22N2O2/c1-4-13-11(8-12)6-7-15-10(3)9-14-5-2/h10-11,13H,4-7,9H2,1-3H3
InChIKeyOJSSPJMMEZXYRM-UHFFFAOYSA-N
XLogP1.32
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Propan-2-ylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
CID 66276790
2-(Propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
CID 66277224
3-(2-methoxyethoxy)-N-propan-2-ylbutan-1-amine
CID 114997779
3-(3-Ethoxypropylamino)pentanenitrile
CID 43368717
4-(2-Butoxyethoxy)-2-(cyclopropylamino)butanenitrile
CID 55143140
2-Methyl-4-(2-propoxyethoxy)-2-(propylamino)butanenitrile
CID 55234058
2-(Cyclopropylamino)-2-methyl-4-(2-propoxyethoxy)butanenitrile
CID 55234059
3-(3-Ethoxypropylamino)butanenitrile
CID 60913301
3-(1,4-Dioxan-2-ylmethylamino)butanenitrile
CID 61023296
3-(1,4-Dioxan-2-ylmethylamino)pentanenitrile
CID 61024470
N-propan-2-yl-3-(2-propan-2-yloxyethoxy)propan-1-amine
CID 61684581
2-(3-Ethoxypropylamino)butanenitrile
CID 61696309

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile?
The IUPAC name of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile (CID 103489740) is 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile.
What is the SMILES notation for 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile?
The canonical SMILES for 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile is CCNC(C#N)CCOC(C)COCC.
What is the InChIKey of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile?
The InChIKey is OJSSPJMMEZXYRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-4-13-11(8-12)6-7-15-10(3)9-14-5-2/h10-11,13H,4-7,9H2,1-3H3.
What are the key properties of 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile?
4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile has a molecular weight of 214.31 g/mol, XLogP of 1.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile is sourced from PubChem (CID 103489740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).