N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen

C11H21N3O — CID 157036986

IUPACN-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen
SMILESC=C/N=C/C(CCCNC(=O)CC)=N\C.[H][H]
InChIInChI=1S/C11H19N3O.H2/c1-4-11(15)14-8-6-7-10(12-3)9-13-5-2;/h5,9H,2,4,6-8H2,1,3H3,(H,14,15);1H/b12-10-,13-9+;
InChIKeyFCJUARCOPQOQIS-AGSAXCGISA-N
MW211.31 g/mol
LogP1.82
Rot. Bonds7

About N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen

N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen (PubChem CID 157036986) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen.

Molecular Properties

Compound NameN-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen
PubChem CID157036986
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC NameN-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen
SMILESC=C/N=C/C(CCCNC(=O)CC)=N\C.[H][H]
InChIInChI=1S/C11H19N3O.H2/c1-4-11(15)14-8-6-7-10(12-3)9-13-5-2;/h5,9H,2,4,6-8H2,1,3H3,(H,14,15);1H/b12-10-,13-9+;
InChIKeyFCJUARCOPQOQIS-AGSAXCGISA-N
XLogP1.82
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen 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

N-[3-(prop-2-enoylamino)propyl]propanamide
CID 45119504
N-[2-(propanoylamino)ethyl]pentanamide
CID 108542545
molecular hydrogen;N-(3-oxopentyl)propanamide
CID 142546391
ethane;10-(propanoylamino)decanoic acid;11-(propanoylamino)undecanoic acid
CID 156732103
ethane;N-pentyl-6-(propanoylamino)hexanamide
CID 166555695
ethane;N-methyl-6-(propanoylamino)hexanamide
CID 145098119
N-(3-aminopropyl)propanamide
CID 21290277
N-[3-(butanoylamino)propyl]butanamide;molecular hydrogen
CID 142492676
N-(12-oxotridecyl)propanamide
CID 171540592
11-(propanoylamino)undecanamide
CID 89244012
5-amino-N-[5-(propanoylamino)pentyl]pentanamide
CID 170966361
N-[7-[(2-chloroacetyl)amino]heptyl]propanamide
CID 163838006

Frequently Asked Questions

What is the IUPAC name of N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen?
The IUPAC name of N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen (CID 157036986) is N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen.
What is the SMILES notation for N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen?
The canonical SMILES for N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen is C=C/N=C/C(CCCNC(=O)CC)=N\C.[H][H].
What is the InChIKey of N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen?
The InChIKey is FCJUARCOPQOQIS-AGSAXCGISA-N. The full InChI is InChI=1S/C11H19N3O.H2/c1-4-11(15)14-8-6-7-10(12-3)9-13-5-2;/h5,9H,2,4,6-8H2,1,3H3,(H,14,15);1H/b12-10-,13-9+;.
What are the key properties of N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen?
N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen has a molecular weight of 211.31 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenylimino-4-methyliminopentyl)propanamide;molecular hydrogen is sourced from PubChem (CID 157036986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).