2-(methylamino)-2-prop-2-enylpropanediamide

C7H13N3O2 — CID 62705595

IUPAC2-(methylamino)-2-prop-2-enylpropanediamide
SMILESC=CCC(NC)(C(N)=O)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-3-4-7(10-2,5(8)11)6(9)12/h3,10H,1,4H2,2H3,(H2,8,11)(H2,9,12)
InChIKeyOJVNEPKFNZQIHD-UHFFFAOYSA-N
MW171.20 g/mol
LogP-1.51
Rot. Bonds5

About 2-(methylamino)-2-prop-2-enylpropanediamide

2-(methylamino)-2-prop-2-enylpropanediamide (PubChem CID 62705595) has the molecular formula C7H13N3O2 and a molecular weight of 171.20 g/mol. Its IUPAC name is 2-(methylamino)-2-prop-2-enylpropanediamide.

Molecular Properties

Compound Name2-(methylamino)-2-prop-2-enylpropanediamide
PubChem CID62705595
Molecular FormulaC7H13N3O2
Molecular Weight171.20 g/mol
Exact Mass171.10
IUPAC Name2-(methylamino)-2-prop-2-enylpropanediamide
SMILESC=CCC(NC)(C(N)=O)C(N)=O
InChIInChI=1S/C7H13N3O2/c1-3-4-7(10-2,5(8)11)6(9)12/h3,10H,1,4H2,2H3,(H2,8,11)(H2,9,12)
InChIKeyOJVNEPKFNZQIHD-UHFFFAOYSA-N
XLogP-1.51
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-2-prop-2-enylpropanediamide?
The IUPAC name of 2-(methylamino)-2-prop-2-enylpropanediamide (CID 62705595) is 2-(methylamino)-2-prop-2-enylpropanediamide.
What is the SMILES notation for 2-(methylamino)-2-prop-2-enylpropanediamide?
The canonical SMILES for 2-(methylamino)-2-prop-2-enylpropanediamide is C=CCC(NC)(C(N)=O)C(N)=O.
What is the InChIKey of 2-(methylamino)-2-prop-2-enylpropanediamide?
The InChIKey is OJVNEPKFNZQIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2/c1-3-4-7(10-2,5(8)11)6(9)12/h3,10H,1,4H2,2H3,(H2,8,11)(H2,9,12).
What are the key properties of 2-(methylamino)-2-prop-2-enylpropanediamide?
2-(methylamino)-2-prop-2-enylpropanediamide has a molecular weight of 171.20 g/mol, XLogP of -1.51, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-2-prop-2-enylpropanediamide is sourced from PubChem (CID 62705595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).