N',N'-dimethylpropanediamide

C5H10N2O2 — CID 7341649

IUPACN',N'-dimethylpropanediamide
SMILESCN(C)C(=O)CC(N)=O
InChIInChI=1S/C5H10N2O2/c1-7(2)5(9)3-4(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyBONKBSKIEUBANL-UHFFFAOYSA-N
MW130.15 g/mol
LogP-1.05
Rot. Bonds2

About N',N'-dimethylpropanediamide

N',N'-dimethylpropanediamide (PubChem CID 7341649) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is N',N'-dimethylpropanediamide.

Molecular Properties

Compound NameN',N'-dimethylpropanediamide
PubChem CID7341649
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC NameN',N'-dimethylpropanediamide
SMILESCN(C)C(=O)CC(N)=O
InChIInChI=1S/C5H10N2O2/c1-7(2)5(9)3-4(6)8/h3H2,1-2H3,(H2,6,8)
InChIKeyBONKBSKIEUBANL-UHFFFAOYSA-N
XLogP-1.05
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',N'-dimethylpropanediamide?
The IUPAC name of N',N'-dimethylpropanediamide (CID 7341649) is N',N'-dimethylpropanediamide.
What is the SMILES notation for N',N'-dimethylpropanediamide?
The canonical SMILES for N',N'-dimethylpropanediamide is CN(C)C(=O)CC(N)=O.
What is the InChIKey of N',N'-dimethylpropanediamide?
The InChIKey is BONKBSKIEUBANL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-7(2)5(9)3-4(6)8/h3H2,1-2H3,(H2,6,8).
What are the key properties of N',N'-dimethylpropanediamide?
N',N'-dimethylpropanediamide has a molecular weight of 130.15 g/mol, XLogP of -1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethylpropanediamide is sourced from PubChem (CID 7341649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).