N,N'-dimethyl-2-(methylamino)propanediamide

C6H13N3O2 — CID 20713114

IUPACN,N'-dimethyl-2-(methylamino)propanediamide
SMILESCNC(=O)C(NC)C(=O)NC
InChIInChI=1S/C6H13N3O2/c1-7-4(5(10)8-2)6(11)9-3/h4,7H,1-3H3,(H,8,10)(H,9,11)
InChIKeyNRNAIEUOAYJUPQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP-1.93
Rot. Bonds3

About N,N'-dimethyl-2-(methylamino)propanediamide

N,N'-dimethyl-2-(methylamino)propanediamide (PubChem CID 20713114) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is N,N'-dimethyl-2-(methylamino)propanediamide.

Molecular Properties

Compound NameN,N'-dimethyl-2-(methylamino)propanediamide
PubChem CID20713114
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC NameN,N'-dimethyl-2-(methylamino)propanediamide
SMILESCNC(=O)C(NC)C(=O)NC
InChIInChI=1S/C6H13N3O2/c1-7-4(5(10)8-2)6(11)9-3/h4,7H,1-3H3,(H,8,10)(H,9,11)
InChIKeyNRNAIEUOAYJUPQ-UHFFFAOYSA-N
XLogP-1.93
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-1.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'-dimethyl-2-(methylamino)propanediamide?
The IUPAC name of N,N'-dimethyl-2-(methylamino)propanediamide (CID 20713114) is N,N'-dimethyl-2-(methylamino)propanediamide.
What is the SMILES notation for N,N'-dimethyl-2-(methylamino)propanediamide?
The canonical SMILES for N,N'-dimethyl-2-(methylamino)propanediamide is CNC(=O)C(NC)C(=O)NC.
What is the InChIKey of N,N'-dimethyl-2-(methylamino)propanediamide?
The InChIKey is NRNAIEUOAYJUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-7-4(5(10)8-2)6(11)9-3/h4,7H,1-3H3,(H,8,10)(H,9,11).
What are the key properties of N,N'-dimethyl-2-(methylamino)propanediamide?
N,N'-dimethyl-2-(methylamino)propanediamide has a molecular weight of 159.19 g/mol, XLogP of -1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-2-(methylamino)propanediamide is sourced from PubChem (CID 20713114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).