3-amino-N,N-bis(prop-2-enyl)propanamide

C9H16N2O — CID 24698167

IUPAC3-amino-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCN
InChIInChI=1S/C9H16N2O/c1-3-7-11(8-4-2)9(12)5-6-10/h3-4H,1-2,5-8,10H2
InChIKeyNIULVLDRIXKXIT-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.54
Rot. Bonds6

About 3-amino-N,N-bis(prop-2-enyl)propanamide

3-amino-N,N-bis(prop-2-enyl)propanamide (PubChem CID 24698167) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 3-amino-N,N-bis(prop-2-enyl)propanamide.

Molecular Properties

Compound Name3-amino-N,N-bis(prop-2-enyl)propanamide
PubChem CID24698167
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name3-amino-N,N-bis(prop-2-enyl)propanamide
SMILESC=CCN(CC=C)C(=O)CCN
InChIInChI=1S/C9H16N2O/c1-3-7-11(8-4-2)9(12)5-6-10/h3-4H,1-2,5-8,10H2
InChIKeyNIULVLDRIXKXIT-UHFFFAOYSA-N
XLogP0.54
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.54
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,N-bis(prop-2-enyl)propanamide?
The IUPAC name of 3-amino-N,N-bis(prop-2-enyl)propanamide (CID 24698167) is 3-amino-N,N-bis(prop-2-enyl)propanamide.
What is the SMILES notation for 3-amino-N,N-bis(prop-2-enyl)propanamide?
The canonical SMILES for 3-amino-N,N-bis(prop-2-enyl)propanamide is C=CCN(CC=C)C(=O)CCN.
What is the InChIKey of 3-amino-N,N-bis(prop-2-enyl)propanamide?
The InChIKey is NIULVLDRIXKXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-7-11(8-4-2)9(12)5-6-10/h3-4H,1-2,5-8,10H2.
What are the key properties of 3-amino-N,N-bis(prop-2-enyl)propanamide?
3-amino-N,N-bis(prop-2-enyl)propanamide has a molecular weight of 168.24 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N,N-bis(prop-2-enyl)propanamide is sourced from PubChem (CID 24698167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).