2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile

C10H20N2O — CID 65048803

IUPAC2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
SMILESCCC(C#N)NC(COC)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-9(6-11)12-10(7-13-4)8(2)3/h8-10,12H,5,7H2,1-4H3
InChIKeyFPEGWGFOOHBJPO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.55
Rot. Bonds6

About 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile

2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile (PubChem CID 65048803) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile.

Molecular Properties

Compound Name2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
PubChem CID65048803
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile
SMILESCCC(C#N)NC(COC)C(C)C
InChIInChI=1S/C10H20N2O/c1-5-9(6-11)12-10(7-13-4)8(2)3/h8-10,12H,5,7H2,1-4H3
InChIKeyFPEGWGFOOHBJPO-UHFFFAOYSA-N
XLogP1.55
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile?
The IUPAC name of 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile (CID 65048803) is 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile.
What is the SMILES notation for 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile?
The canonical SMILES for 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile is CCC(C#N)NC(COC)C(C)C.
What is the InChIKey of 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile?
The InChIKey is FPEGWGFOOHBJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-9(6-11)12-10(7-13-4)8(2)3/h8-10,12H,5,7H2,1-4H3.
What are the key properties of 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile?
2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methoxy-3-methylbutan-2-yl)amino]butanenitrile is sourced from PubChem (CID 65048803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).