3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile

C9H18N2O — CID 61448617

IUPAC3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
SMILESCCN(CCOC)CC(C)C#N
InChIInChI=1S/C9H18N2O/c1-4-11(5-6-12-3)8-9(2)7-10/h9H,4-6,8H2,1-3H3
InChIKeyAIDRPGFBADJVJK-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.11
Rot. Bonds6

About 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile

3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile (PubChem CID 61448617) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
PubChem CID61448617
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile
SMILESCCN(CCOC)CC(C)C#N
InChIInChI=1S/C9H18N2O/c1-4-11(5-6-12-3)8-9(2)7-10/h9H,4-6,8H2,1-3H3
InChIKeyAIDRPGFBADJVJK-UHFFFAOYSA-N
XLogP1.11
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 103935037
(2S)-1-N-ethyl-1-N-(2-methoxyethyl)propane-1,2-diamine
CID 103934538
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
3-[2-[2-(2-cyanopropoxy)ethyl-ethylamino]ethoxy]-2-methylpropanenitrile
CID 54560247
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
1-N-ethyl-1-N-(2-methoxyethyl)-4-methylpentane-1,2-diamine
CID 61447801
1-amino-3-[ethyl(2-methoxyethyl)amino]propan-2-ol
CID 61447893
1-N-ethyl-1-N-(2-methoxyethyl)-2-N-methylbutane-1,2-diamine
CID 62038439
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile (CID 61448617) is 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile is CCN(CCOC)CC(C)C#N.
What is the InChIKey of 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile?
The InChIKey is AIDRPGFBADJVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-4-11(5-6-12-3)8-9(2)7-10/h9H,4-6,8H2,1-3H3.
What are the key properties of 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile?
3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile has a molecular weight of 170.26 g/mol, XLogP of 1.11, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(2-methoxyethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 61448617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).