octane-1,8-diamine;bis(prop-2-enamide)

C14H30N4O2 — CID 175483663

IUPACoctane-1,8-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCCCCCCCN
InChIInChI=1S/C8H20N2.2C3H5NO/c9-7-5-3-1-2-4-6-8-10;2*1-2-3(4)5/h1-10H2;2*2H,1H2,(H2,4,5)
InChIKeyAGPBAISCOKOWJH-UHFFFAOYSA-N
MW286.42 g/mol
LogP0.56
Rot. Bonds9

About octane-1,8-diamine;bis(prop-2-enamide)

octane-1,8-diamine;bis(prop-2-enamide) (PubChem CID 175483663) has the molecular formula C14H30N4O2 and a molecular weight of 286.42 g/mol. Its IUPAC name is octane-1,8-diamine;bis(prop-2-enamide).

Molecular Properties

Compound Nameoctane-1,8-diamine;bis(prop-2-enamide)
PubChem CID175483663
Molecular FormulaC14H30N4O2
Molecular Weight286.42 g/mol
Exact Mass286.24
IUPAC Nameoctane-1,8-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCCCCCCCN
InChIInChI=1S/C8H20N2.2C3H5NO/c9-7-5-3-1-2-4-6-8-10;2*1-2-3(4)5/h1-10H2;2*2H,1H2,(H2,4,5)
InChIKeyAGPBAISCOKOWJH-UHFFFAOYSA-N
XLogP0.56
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 octane-1,8-diamine;bis(prop-2-enamide)?
The IUPAC name of octane-1,8-diamine;bis(prop-2-enamide) (CID 175483663) is octane-1,8-diamine;bis(prop-2-enamide).
What is the SMILES notation for octane-1,8-diamine;bis(prop-2-enamide)?
The canonical SMILES for octane-1,8-diamine;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.NCCCCCCCCN.
What is the InChIKey of octane-1,8-diamine;bis(prop-2-enamide)?
The InChIKey is AGPBAISCOKOWJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H20N2.2C3H5NO/c9-7-5-3-1-2-4-6-8-10;2*1-2-3(4)5/h1-10H2;2*2H,1H2,(H2,4,5).
What are the key properties of octane-1,8-diamine;bis(prop-2-enamide)?
octane-1,8-diamine;bis(prop-2-enamide) has a molecular weight of 286.42 g/mol, XLogP of 0.56, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for octane-1,8-diamine;bis(prop-2-enamide) is sourced from PubChem (CID 175483663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).