2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile

C9H18N2O2 — CID 103489757

IUPAC2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile
SMILESCCOCC(C)OCC(C)(N)C#N
InChIInChI=1S/C9H18N2O2/c1-4-12-5-8(2)13-7-9(3,11)6-10/h8H,4-5,7,11H2,1-3H3
InChIKeyHPCLRERZLSAIRP-UHFFFAOYSA-N
MW186.25 g/mol
LogP0.67
Rot. Bonds6

About 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile

2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile (PubChem CID 103489757) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile.

Molecular Properties

Compound Name2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile
PubChem CID103489757
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile
SMILESCCOCC(C)OCC(C)(N)C#N
InChIInChI=1S/C9H18N2O2/c1-4-12-5-8(2)13-7-9(3,11)6-10/h8H,4-5,7,11H2,1-3H3
InChIKeyHPCLRERZLSAIRP-UHFFFAOYSA-N
XLogP0.67
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-ethoxypropan-2-yloxy)-2,2-difluoropropan-1-amine
CID 165466401
(2R)-1,2-diethoxypropane
CID 92973991
2-amino-2-methyl-4-(2,2,2-trifluoroethoxy)pentanenitrile
CID 64728179
2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylbutan-1-ol
CID 103491080
2-amino-3-methoxy-2-methylpropanenitrile;hydrochloride
CID 88790067
ethyl 3-(1-ethoxypropan-2-yloxy)-2-methyl-2-(methylamino)propanoate
CID 103489778
2-amino-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanenitrile
CID 106448774
2-amino-4-[2-ethoxyethyl(methyl)amino]-2-methylpentanenitrile
CID 81062003
2-amino-4-(1-ethoxypropan-2-yloxy)-2-methylpentan-1-ol
CID 103491094
2-(cyclopropylamino)-3-(1-ethoxypropan-2-yloxy)-2-phenylpropanenitrile
CID 103489758
3-(1-ethoxypropan-2-yloxy)-2-(ethylamino)-2-methylpropanoic acid
CID 103489783
2-amino-4-[2-ethoxyethyl(ethyl)amino]-2-methylpentanenitrile
CID 64727930

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile?
The IUPAC name of 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile (CID 103489757) is 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile.
What is the SMILES notation for 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile?
The canonical SMILES for 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile is CCOCC(C)OCC(C)(N)C#N.
What is the InChIKey of 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile?
The InChIKey is HPCLRERZLSAIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-12-5-8(2)13-7-9(3,11)6-10/h8H,4-5,7,11H2,1-3H3.
What are the key properties of 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile?
2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile has a molecular weight of 186.25 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(1-ethoxypropan-2-yloxy)-2-methylpropanenitrile is sourced from PubChem (CID 103489757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).