N,N-bis[(ethenylamino)methyl]propanamide

C9H17N3O — CID 58852926

IUPACN,N-bis[(ethenylamino)methyl]propanamide
SMILESC=CNCN(CNC=C)C(=O)CC
InChIInChI=1S/C9H17N3O/c1-4-9(13)12(7-10-5-2)8-11-6-3/h5-6,10-11H,2-4,7-8H2,1H3
InChIKeyHTWOYTBBYGHXMD-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.61
Rot. Bonds7

About N,N-bis[(ethenylamino)methyl]propanamide

N,N-bis[(ethenylamino)methyl]propanamide (PubChem CID 58852926) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is N,N-bis[(ethenylamino)methyl]propanamide.

Molecular Properties

Compound NameN,N-bis[(ethenylamino)methyl]propanamide
PubChem CID58852926
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC NameN,N-bis[(ethenylamino)methyl]propanamide
SMILESC=CNCN(CNC=C)C(=O)CC
InChIInChI=1S/C9H17N3O/c1-4-9(13)12(7-10-5-2)8-11-6-3/h5-6,10-11H,2-4,7-8H2,1H3
InChIKeyHTWOYTBBYGHXMD-UHFFFAOYSA-N
XLogP0.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-bis[(ethenylamino)methyl]propanamide?
The IUPAC name of N,N-bis[(ethenylamino)methyl]propanamide (CID 58852926) is N,N-bis[(ethenylamino)methyl]propanamide.
What is the SMILES notation for N,N-bis[(ethenylamino)methyl]propanamide?
The canonical SMILES for N,N-bis[(ethenylamino)methyl]propanamide is C=CNCN(CNC=C)C(=O)CC.
What is the InChIKey of N,N-bis[(ethenylamino)methyl]propanamide?
The InChIKey is HTWOYTBBYGHXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-9(13)12(7-10-5-2)8-11-6-3/h5-6,10-11H,2-4,7-8H2,1H3.
What are the key properties of N,N-bis[(ethenylamino)methyl]propanamide?
N,N-bis[(ethenylamino)methyl]propanamide has a molecular weight of 183.25 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis[(ethenylamino)methyl]propanamide is sourced from PubChem (CID 58852926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).