propanamide;bis(propan-1-amine)

C9H25N3O — CID 158390031

IUPACpropanamide;bis(propan-1-amine)
SMILESCCC(N)=O.CCCN.CCCN
InChIInChI=1S/C3H7NO.2C3H9N/c1-2-3(4)5;2*1-2-3-4/h2H2,1H3,(H2,4,5);2*2-4H2,1H3
InChIKeyGWVNOFUITXFGJM-UHFFFAOYSA-N
MW191.32 g/mol
LogP0.59
Rot. Bonds3

About propanamide;bis(propan-1-amine)

propanamide;bis(propan-1-amine) (PubChem CID 158390031) has the molecular formula C9H25N3O and a molecular weight of 191.32 g/mol. Its IUPAC name is propanamide;bis(propan-1-amine).

Molecular Properties

Compound Namepropanamide;bis(propan-1-amine)
PubChem CID158390031
Molecular FormulaC9H25N3O
Molecular Weight191.32 g/mol
Exact Mass191.20
IUPAC Namepropanamide;bis(propan-1-amine)
SMILESCCC(N)=O.CCCN.CCCN
InChIInChI=1S/C3H7NO.2C3H9N/c1-2-3(4)5;2*1-2-3-4/h2H2,1H3,(H2,4,5);2*2-4H2,1H3
InChIKeyGWVNOFUITXFGJM-UHFFFAOYSA-N
XLogP0.59
TPSA95.13 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.32
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze propanamide;bis(propan-1-amine) with MolForge

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

Launch Full Analysis

Related Compounds

propanamide;propan-1-amine
CID 118437692
methane;propanamide
CID 160666730
guanidine;propanamide
CID 158320139
propanamide;hydrate;hydrochloride
CID 19791604
cyclohexane;propanamide
CID 143816223
oxalic acid;bis(propan-1-amine)
CID 173398819
acetic acid;azane;propan-1-amine
CID 22269600
phosphoric acid;propanamide
CID 175475634
propanamide;trichloroalumane
CID 174958610
sodium;dodecanamide;hydride;propan-1-amine
CID 175218223
propanamide;thionyl dichloride
CID 161371403
propanamide;propanedioic acid
CID 174420039

Frequently Asked Questions

What is the IUPAC name of propanamide;bis(propan-1-amine)?
The IUPAC name of propanamide;bis(propan-1-amine) (CID 158390031) is propanamide;bis(propan-1-amine).
What is the SMILES notation for propanamide;bis(propan-1-amine)?
The canonical SMILES for propanamide;bis(propan-1-amine) is CCC(N)=O.CCCN.CCCN.
What is the InChIKey of propanamide;bis(propan-1-amine)?
The InChIKey is GWVNOFUITXFGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NO.2C3H9N/c1-2-3(4)5;2*1-2-3-4/h2H2,1H3,(H2,4,5);2*2-4H2,1H3.
What are the key properties of propanamide;bis(propan-1-amine)?
propanamide;bis(propan-1-amine) has a molecular weight of 191.32 g/mol, XLogP of 0.59, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propanamide;bis(propan-1-amine) is sourced from PubChem (CID 158390031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).