3-amino-N-prop-2-enyl-N-propylpropanamide

C9H18N2O — CID 87492344

IUPAC3-amino-N-prop-2-enyl-N-propylpropanamide
SMILESC=CCN(CCC)C(=O)CCN
InChIInChI=1S/C9H18N2O/c1-3-7-11(8-4-2)9(12)5-6-10/h3H,1,4-8,10H2,2H3
InChIKeyZAPHWZFYFYAIRJ-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.76
Rot. Bonds6

About 3-amino-N-prop-2-enyl-N-propylpropanamide

3-amino-N-prop-2-enyl-N-propylpropanamide (PubChem CID 87492344) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 3-amino-N-prop-2-enyl-N-propylpropanamide.

Molecular Properties

Compound Name3-amino-N-prop-2-enyl-N-propylpropanamide
PubChem CID87492344
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name3-amino-N-prop-2-enyl-N-propylpropanamide
SMILESC=CCN(CCC)C(=O)CCN
InChIInChI=1S/C9H18N2O/c1-3-7-11(8-4-2)9(12)5-6-10/h3H,1,4-8,10H2,2H3
InChIKeyZAPHWZFYFYAIRJ-UHFFFAOYSA-N
XLogP0.76
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-prop-2-enyl-N-propylpropanamide?
The IUPAC name of 3-amino-N-prop-2-enyl-N-propylpropanamide (CID 87492344) is 3-amino-N-prop-2-enyl-N-propylpropanamide.
What is the SMILES notation for 3-amino-N-prop-2-enyl-N-propylpropanamide?
The canonical SMILES for 3-amino-N-prop-2-enyl-N-propylpropanamide is C=CCN(CCC)C(=O)CCN.
What is the InChIKey of 3-amino-N-prop-2-enyl-N-propylpropanamide?
The InChIKey is ZAPHWZFYFYAIRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-7-11(8-4-2)9(12)5-6-10/h3H,1,4-8,10H2,2H3.
What are the key properties of 3-amino-N-prop-2-enyl-N-propylpropanamide?
3-amino-N-prop-2-enyl-N-propylpropanamide has a molecular weight of 170.26 g/mol, XLogP of 0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-prop-2-enyl-N-propylpropanamide is sourced from PubChem (CID 87492344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).