N-[3-(dimethylamino)propyl]-2-methylbutanamide

C10H22N2O — CID 3519491

IUPACN-[3-(dimethylamino)propyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCN(C)C
InChIInChI=1S/C10H22N2O/c1-5-9(2)10(13)11-7-6-8-12(3)4/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyZHSYBKSIAUNTHG-UHFFFAOYSA-N
MW186.30 g/mol
LogP1.10
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-2-methylbutanamide

N-[3-(dimethylamino)propyl]-2-methylbutanamide (PubChem CID 3519491) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-2-methylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-2-methylbutanamide
PubChem CID3519491
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC NameN-[3-(dimethylamino)propyl]-2-methylbutanamide
SMILESCCC(C)C(=O)NCCCN(C)C
InChIInChI=1S/C10H22N2O/c1-5-9(2)10(13)11-7-6-8-12(3)4/h9H,5-8H2,1-4H3,(H,11,13)
InChIKeyZHSYBKSIAUNTHG-UHFFFAOYSA-N
XLogP1.10
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-2-methylbutanamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-2-methylbutanamide (CID 3519491) is N-[3-(dimethylamino)propyl]-2-methylbutanamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-2-methylbutanamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-2-methylbutanamide is CCC(C)C(=O)NCCCN(C)C.
What is the InChIKey of N-[3-(dimethylamino)propyl]-2-methylbutanamide?
The InChIKey is ZHSYBKSIAUNTHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-5-9(2)10(13)11-7-6-8-12(3)4/h9H,5-8H2,1-4H3,(H,11,13).
What are the key properties of N-[3-(dimethylamino)propyl]-2-methylbutanamide?
N-[3-(dimethylamino)propyl]-2-methylbutanamide has a molecular weight of 186.30 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-2-methylbutanamide is sourced from PubChem (CID 3519491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).