nonane-1,9-diamine;bis(prop-2-enamide)

C15H32N4O2 — CID 175483656

IUPACnonane-1,9-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCCCCCCCCN
InChIInChI=1S/C9H22N2.2C3H5NO/c10-8-6-4-2-1-3-5-7-9-11;2*1-2-3(4)5/h1-11H2;2*2H,1H2,(H2,4,5)
InChIKeyCAAKJCHUJRDOHI-UHFFFAOYSA-N
MW300.45 g/mol
LogP0.95
Rot. Bonds10

About nonane-1,9-diamine;bis(prop-2-enamide)

nonane-1,9-diamine;bis(prop-2-enamide) (PubChem CID 175483656) has the molecular formula C15H32N4O2 and a molecular weight of 300.45 g/mol. Its IUPAC name is nonane-1,9-diamine;bis(prop-2-enamide).

Molecular Properties

Compound Namenonane-1,9-diamine;bis(prop-2-enamide)
PubChem CID175483656
Molecular FormulaC15H32N4O2
Molecular Weight300.45 g/mol
Exact Mass300.25
IUPAC Namenonane-1,9-diamine;bis(prop-2-enamide)
SMILESC=CC(N)=O.C=CC(N)=O.NCCCCCCCCCN
InChIInChI=1S/C9H22N2.2C3H5NO/c10-8-6-4-2-1-3-5-7-9-11;2*1-2-3(4)5/h1-11H2;2*2H,1H2,(H2,4,5)
InChIKeyCAAKJCHUJRDOHI-UHFFFAOYSA-N
XLogP0.95
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 50.95
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'}

Analyze nonane-1,9-diamine;bis(prop-2-enamide) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of nonane-1,9-diamine;bis(prop-2-enamide)?
The IUPAC name of nonane-1,9-diamine;bis(prop-2-enamide) (CID 175483656) is nonane-1,9-diamine;bis(prop-2-enamide).
What is the SMILES notation for nonane-1,9-diamine;bis(prop-2-enamide)?
The canonical SMILES for nonane-1,9-diamine;bis(prop-2-enamide) is C=CC(N)=O.C=CC(N)=O.NCCCCCCCCCN.
What is the InChIKey of nonane-1,9-diamine;bis(prop-2-enamide)?
The InChIKey is CAAKJCHUJRDOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2.2C3H5NO/c10-8-6-4-2-1-3-5-7-9-11;2*1-2-3(4)5/h1-11H2;2*2H,1H2,(H2,4,5).
What are the key properties of nonane-1,9-diamine;bis(prop-2-enamide)?
nonane-1,9-diamine;bis(prop-2-enamide) has a molecular weight of 300.45 g/mol, XLogP of 0.95, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for nonane-1,9-diamine;bis(prop-2-enamide) is sourced from PubChem (CID 175483656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).