2,2-dimethyl-N-methylidenebutanamide;methane

C9H21NO — CID 158174001

IUPAC2,2-dimethyl-N-methylidenebutanamide;methane
SMILESC.C.C=NC(=O)C(C)(C)CC
InChIInChI=1S/C7H13NO.2CH4/c1-5-7(2,3)6(9)8-4;;/h4-5H2,1-3H3;2*1H4
InChIKeyFXUBFVHEKRZDFA-UHFFFAOYSA-N
MW159.27 g/mol
LogP2.92
Rot. Bonds2

About 2,2-dimethyl-N-methylidenebutanamide;methane

2,2-dimethyl-N-methylidenebutanamide;methane (PubChem CID 158174001) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-methylidenebutanamide;methane.

Molecular Properties

Compound Name2,2-dimethyl-N-methylidenebutanamide;methane
PubChem CID158174001
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2,2-dimethyl-N-methylidenebutanamide;methane
SMILESC.C.C=NC(=O)C(C)(C)CC
InChIInChI=1S/C7H13NO.2CH4/c1-5-7(2,3)6(9)8-4;;/h4-5H2,1-3H3;2*1H4
InChIKeyFXUBFVHEKRZDFA-UHFFFAOYSA-N
XLogP2.92
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-methylidenebutanamide;methane?
The IUPAC name of 2,2-dimethyl-N-methylidenebutanamide;methane (CID 158174001) is 2,2-dimethyl-N-methylidenebutanamide;methane.
What is the SMILES notation for 2,2-dimethyl-N-methylidenebutanamide;methane?
The canonical SMILES for 2,2-dimethyl-N-methylidenebutanamide;methane is C.C.C=NC(=O)C(C)(C)CC.
What is the InChIKey of 2,2-dimethyl-N-methylidenebutanamide;methane?
The InChIKey is FXUBFVHEKRZDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.2CH4/c1-5-7(2,3)6(9)8-4;;/h4-5H2,1-3H3;2*1H4.
What are the key properties of 2,2-dimethyl-N-methylidenebutanamide;methane?
2,2-dimethyl-N-methylidenebutanamide;methane has a molecular weight of 159.27 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-methylidenebutanamide;methane is sourced from PubChem (CID 158174001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).