N-[(dimethylamino)methyl]-2-methylbutanamide

C8H18N2O — CID 18715938

IUPACN-[(dimethylamino)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCN(C)C
InChIInChI=1S/C8H18N2O/c1-5-7(2)8(11)9-6-10(3)4/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyPLUWKWCLFHQACT-UHFFFAOYSA-N
MW158.24 g/mol
LogP0.67
Rot. Bonds4

About N-[(dimethylamino)methyl]-2-methylbutanamide

N-[(dimethylamino)methyl]-2-methylbutanamide (PubChem CID 18715938) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-2-methylbutanamide
PubChem CID18715938
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC NameN-[(dimethylamino)methyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCN(C)C
InChIInChI=1S/C8H18N2O/c1-5-7(2)8(11)9-6-10(3)4/h7H,5-6H2,1-4H3,(H,9,11)
InChIKeyPLUWKWCLFHQACT-UHFFFAOYSA-N
XLogP0.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(dimethylamino)methyl]-2-methylbutanamide?
The IUPAC name of N-[(dimethylamino)methyl]-2-methylbutanamide (CID 18715938) is N-[(dimethylamino)methyl]-2-methylbutanamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-2-methylbutanamide?
The canonical SMILES for N-[(dimethylamino)methyl]-2-methylbutanamide is CCC(C)C(=O)NCN(C)C.
What is the InChIKey of N-[(dimethylamino)methyl]-2-methylbutanamide?
The InChIKey is PLUWKWCLFHQACT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-5-7(2)8(11)9-6-10(3)4/h7H,5-6H2,1-4H3,(H,9,11).
What are the key properties of N-[(dimethylamino)methyl]-2-methylbutanamide?
N-[(dimethylamino)methyl]-2-methylbutanamide has a molecular weight of 158.24 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-2-methylbutanamide is sourced from PubChem (CID 18715938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).