heptane-1,7-diamine;bis(prop-2-enamide)

C13H28N4O2 — CID 175483655

IUPACheptane-1,7-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCCCCCCN
InChIInChI=1S/C7H18N2.2C3H5NO/c8-6-4-2-1-3-5-7-9;2*1-2-3(4)5/h1-9H2;2*2H,1H2,(H2,4,5)
InChIKeyZTEMKKGVIUERKQ-UHFFFAOYSA-N
MW272.39 g/mol
LogP0.17
Rot. Bonds8

About heptane-1,7-diamine;bis(prop-2-enamide)

heptane-1,7-diamine;bis(prop-2-enamide) (PubChem CID 175483655) has the molecular formula C13H28N4O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is heptane-1,7-diamine;bis(prop-2-enamide).

Molecular Properties

Compound Nameheptane-1,7-diamine;bis(prop-2-enamide)
PubChem CID175483655
Molecular FormulaC13H28N4O2
Molecular Weight272.39 g/mol
Exact Mass272.22
IUPAC Nameheptane-1,7-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCCCCCCN
InChIInChI=1S/C7H18N2.2C3H5NO/c8-6-4-2-1-3-5-7-9;2*1-2-3(4)5/h1-9H2;2*2H,1H2,(H2,4,5)
InChIKeyZTEMKKGVIUERKQ-UHFFFAOYSA-N
XLogP0.17
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 50.17
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 heptane-1,7-diamine;bis(prop-2-enamide)?
The IUPAC name of heptane-1,7-diamine;bis(prop-2-enamide) (CID 175483655) is heptane-1,7-diamine;bis(prop-2-enamide).
What is the SMILES notation for heptane-1,7-diamine;bis(prop-2-enamide)?
The canonical SMILES for heptane-1,7-diamine;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.NCCCCCCCN.
What is the InChIKey of heptane-1,7-diamine;bis(prop-2-enamide)?
The InChIKey is ZTEMKKGVIUERKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2.2C3H5NO/c8-6-4-2-1-3-5-7-9;2*1-2-3(4)5/h1-9H2;2*2H,1H2,(H2,4,5).
What are the key properties of heptane-1,7-diamine;bis(prop-2-enamide)?
heptane-1,7-diamine;bis(prop-2-enamide) has a molecular weight of 272.39 g/mol, XLogP of 0.17, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptane-1,7-diamine;bis(prop-2-enamide) is sourced from PubChem (CID 175483655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).