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

C10H20N2O — CID 65049474

IUPAC3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile
SMILESCOCC(NCC(C)C#N)C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)10(7-13-4)12-6-9(3)5-11/h8-10,12H,6-7H2,1-4H3
InChIKeyVLJRPNWDAURSGO-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.41
Rot. Bonds6

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

3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile (PubChem CID 65049474) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile
PubChem CID65049474
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile
SMILESCOCC(NCC(C)C#N)C(C)C
InChIInChI=1S/C10H20N2O/c1-8(2)10(7-13-4)12-6-9(3)5-11/h8-10,12H,6-7H2,1-4H3
InChIKeyVLJRPNWDAURSGO-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile?
The IUPAC name of 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile (CID 65049474) is 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile is COCC(NCC(C)C#N)C(C)C.
What is the InChIKey of 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile?
The InChIKey is VLJRPNWDAURSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-8(2)10(7-13-4)12-6-9(3)5-11/h8-10,12H,6-7H2,1-4H3.
What are the key properties of 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile?
3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile has a molecular weight of 184.28 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 65049474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).