3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile

C12H24N2O — CID 102977115

IUPAC3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile
SMILESCCN(CCC(C)(C)OC)CC(C)C#N
InChIInChI=1S/C12H24N2O/c1-6-14(10-11(2)9-13)8-7-12(3,4)15-5/h11H,6-8,10H2,1-5H3
InChIKeyLBHWCMPDMNHWFA-UHFFFAOYSA-N
MW212.34 g/mol
LogP2.28
Rot. Bonds7

About 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile

3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile (PubChem CID 102977115) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile
PubChem CID102977115
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile
SMILESCCN(CCC(C)(C)OC)CC(C)C#N
InChIInChI=1S/C12H24N2O/c1-6-14(10-11(2)9-13)8-7-12(3,4)15-5/h11H,6-8,10H2,1-5H3
InChIKeyLBHWCMPDMNHWFA-UHFFFAOYSA-N
XLogP2.28
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile (CID 102977115) is 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile is CCN(CCC(C)(C)OC)CC(C)C#N.
What is the InChIKey of 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile?
The InChIKey is LBHWCMPDMNHWFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-14(10-11(2)9-13)8-7-12(3,4)15-5/h11H,6-8,10H2,1-5H3.
What are the key properties of 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile?
3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile has a molecular weight of 212.34 g/mol, XLogP of 2.28, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methoxy-3-methylbutyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 102977115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).