2-(ethylamino)-4-propan-2-yloxybutanenitrile

C9H18N2O — CID 63029764

IUPAC2-(ethylamino)-4-propan-2-yloxybutanenitrile
SMILESCCNC(C#N)CCOC(C)C
InChIInChI=1S/C9H18N2O/c1-4-11-9(7-10)5-6-12-8(2)3/h8-9,11H,4-6H2,1-3H3
InChIKeyMEQZJTLRPYEQME-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.30
Rot. Bonds6

About 2-(ethylamino)-4-propan-2-yloxybutanenitrile

2-(ethylamino)-4-propan-2-yloxybutanenitrile (PubChem CID 63029764) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 2-(ethylamino)-4-propan-2-yloxybutanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-propan-2-yloxybutanenitrile
PubChem CID63029764
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name2-(ethylamino)-4-propan-2-yloxybutanenitrile
SMILESCCNC(C#N)CCOC(C)C
InChIInChI=1S/C9H18N2O/c1-4-11-9(7-10)5-6-12-8(2)3/h8-9,11H,4-6H2,1-3H3
InChIKeyMEQZJTLRPYEQME-UHFFFAOYSA-N
XLogP1.30
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-ethoxypropan-2-yloxy)-2-(ethylamino)butanenitrile
CID 103489740
2-(ethylamino)-4-(4-propoxyphenoxy)butanenitrile
CID 63028658
4-(3,5-dimethoxyphenoxy)-2-(ethylamino)butanenitrile
CID 55168643
2-(4-propan-2-yloxybutylamino)butanenitrile
CID 106009913
4-(4-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 107667821
2-(propylamino)-4-(1,1,1-trifluoropropan-2-yloxy)butanenitrile
CID 66277224
2-(ethylamino)-4-[ethyl(1-methoxypropan-2-yl)amino]butanenitrile
CID 63030258
2-(ethylamino)-4-(3-propan-2-ylphenoxy)butanenitrile
CID 63027246
2-(ethylamino)-4-[ethyl(propan-2-yl)amino]butanenitrile
CID 63029263
4-(3,4-dimethylcyclohexyl)oxy-2-(ethylamino)butanenitrile
CID 64746746
4-(2-butan-2-ylphenoxy)-2-(ethylamino)butanenitrile
CID 55143340
4-(3-methylbutoxy)-2-(propylamino)butanenitrile
CID 63029560

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-propan-2-yloxybutanenitrile?
The IUPAC name of 2-(ethylamino)-4-propan-2-yloxybutanenitrile (CID 63029764) is 2-(ethylamino)-4-propan-2-yloxybutanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-propan-2-yloxybutanenitrile?
The canonical SMILES for 2-(ethylamino)-4-propan-2-yloxybutanenitrile is CCNC(C#N)CCOC(C)C.
What is the InChIKey of 2-(ethylamino)-4-propan-2-yloxybutanenitrile?
The InChIKey is MEQZJTLRPYEQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-11-9(7-10)5-6-12-8(2)3/h8-9,11H,4-6H2,1-3H3.
What are the key properties of 2-(ethylamino)-4-propan-2-yloxybutanenitrile?
2-(ethylamino)-4-propan-2-yloxybutanenitrile has a molecular weight of 170.26 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-propan-2-yloxybutanenitrile is sourced from PubChem (CID 63029764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).