N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide

C11H24N2O — CID 3071431

IUPACN-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide
SMILESCCC(C)C(CC)C(=O)NCN(C)C
InChIInChI=1S/C11H24N2O/c1-6-9(3)10(7-2)11(14)12-8-13(4)5/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyOXRIIRWRWSBWBZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.69
Rot. Bonds6

About N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide

N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide (PubChem CID 3071431) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide.

Molecular Properties

Compound NameN-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide
PubChem CID3071431
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide
SMILESCCC(C)C(CC)C(=O)NCN(C)C
InChIInChI=1S/C11H24N2O/c1-6-9(3)10(7-2)11(14)12-8-13(4)5/h9-10H,6-8H2,1-5H3,(H,12,14)
InChIKeyOXRIIRWRWSBWBZ-UHFFFAOYSA-N
XLogP1.69
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.69
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-ethyl-3-methylpentanamide?
The IUPAC name of N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide (CID 3071431) is N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide.
What is the SMILES notation for N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide?
The canonical SMILES for N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide is CCC(C)C(CC)C(=O)NCN(C)C.
What is the InChIKey of N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide?
The InChIKey is OXRIIRWRWSBWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-6-9(3)10(7-2)11(14)12-8-13(4)5/h9-10H,6-8H2,1-5H3,(H,12,14).
What are the key properties of N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide?
N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide has a molecular weight of 200.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(dimethylamino)methyl]-2-ethyl-3-methylpentanamide is sourced from PubChem (CID 3071431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).