methane;2-methyl-N-methylidenebutanamide

C8H19NO — CID 159995822

IUPACmethane;2-methyl-N-methylidenebutanamide
SMILESC.C.C=NC(=O)C(C)CC
InChIInChI=1S/C6H11NO.2CH4/c1-4-5(2)6(8)7-3;;/h5H,3-4H2,1-2H3;2*1H4
InChIKeyOHNKFDAMODSUQB-UHFFFAOYSA-N
MW145.25 g/mol
LogP2.53
Rot. Bonds2

About methane;2-methyl-N-methylidenebutanamide

methane;2-methyl-N-methylidenebutanamide (PubChem CID 159995822) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is methane;2-methyl-N-methylidenebutanamide.

Molecular Properties

Compound Namemethane;2-methyl-N-methylidenebutanamide
PubChem CID159995822
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Namemethane;2-methyl-N-methylidenebutanamide
SMILESC.C.C=NC(=O)C(C)CC
InChIInChI=1S/C6H11NO.2CH4/c1-4-5(2)6(8)7-3;;/h5H,3-4H2,1-2H3;2*1H4
InChIKeyOHNKFDAMODSUQB-UHFFFAOYSA-N
XLogP2.53
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 52.53
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 methane;2-methyl-N-methylidenebutanamide?
The IUPAC name of methane;2-methyl-N-methylidenebutanamide (CID 159995822) is methane;2-methyl-N-methylidenebutanamide.
What is the SMILES notation for methane;2-methyl-N-methylidenebutanamide?
The canonical SMILES for methane;2-methyl-N-methylidenebutanamide is C.C.C=NC(=O)C(C)CC.
What is the InChIKey of methane;2-methyl-N-methylidenebutanamide?
The InChIKey is OHNKFDAMODSUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.2CH4/c1-4-5(2)6(8)7-3;;/h5H,3-4H2,1-2H3;2*1H4.
What are the key properties of methane;2-methyl-N-methylidenebutanamide?
methane;2-methyl-N-methylidenebutanamide has a molecular weight of 145.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-methyl-N-methylidenebutanamide is sourced from PubChem (CID 159995822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).