pentan-1-amine;bis(prop-2-enamide)

C11H23N3O2 — CID 174833936

IUPACpentan-1-amine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.CCCCCN
InChIInChI=1S/C5H13N.2C3H5NO/c1-2-3-4-5-6;2*1-2-3(4)5/h2-6H2,1H3;2*2H,1H2,(H2,4,5)
InChIKeyLAUIMSZIFVAJRE-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.45
Rot. Bonds5

About pentan-1-amine;bis(prop-2-enamide)

pentan-1-amine;bis(prop-2-enamide) (PubChem CID 174833936) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is pentan-1-amine;bis(prop-2-enamide).

Molecular Properties

Compound Namepentan-1-amine;bis(prop-2-enamide)
PubChem CID174833936
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC Namepentan-1-amine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.CCCCCN
InChIInChI=1S/C5H13N.2C3H5NO/c1-2-3-4-5-6;2*1-2-3(4)5/h2-6H2,1H3;2*2H,1H2,(H2,4,5)
InChIKeyLAUIMSZIFVAJRE-UHFFFAOYSA-N
XLogP0.45
TPSA112.20 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of pentan-1-amine;bis(prop-2-enamide)?
The IUPAC name of pentan-1-amine;bis(prop-2-enamide) (CID 174833936) is pentan-1-amine;bis(prop-2-enamide).
What is the SMILES notation for pentan-1-amine;bis(prop-2-enamide)?
The canonical SMILES for pentan-1-amine;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.CCCCCN.
What is the InChIKey of pentan-1-amine;bis(prop-2-enamide)?
The InChIKey is LAUIMSZIFVAJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.2C3H5NO/c1-2-3-4-5-6;2*1-2-3(4)5/h2-6H2,1H3;2*2H,1H2,(H2,4,5).
What are the key properties of pentan-1-amine;bis(prop-2-enamide)?
pentan-1-amine;bis(prop-2-enamide) has a molecular weight of 229.32 g/mol, XLogP of 0.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-1-amine;bis(prop-2-enamide) is sourced from PubChem (CID 174833936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).