N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide

C10H20N4O2 — CID 130272026

IUPACN-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide
SMILESC=CNCCC(=O)NCNC(=O)CCNC
InChIInChI=1S/C10H20N4O2/c1-3-12-7-5-10(16)14-8-13-9(15)4-6-11-2/h3,11-12H,1,4-8H2,2H3,(H,13,15)(H,14,16)
InChIKeyYCNYZMQJLBOFDA-UHFFFAOYSA-N
MW228.30 g/mol
LogP-1.09
Rot. Bonds9

About N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide

N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide (PubChem CID 130272026) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide
PubChem CID130272026
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide
SMILESC=CNCCC(=O)NCNC(=O)CCNC
InChIInChI=1S/C10H20N4O2/c1-3-12-7-5-10(16)14-8-13-9(15)4-6-11-2/h3,11-12H,1,4-8H2,2H3,(H,13,15)(H,14,16)
InChIKeyYCNYZMQJLBOFDA-UHFFFAOYSA-N
XLogP-1.09
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-1.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[[Ethenyl(propan-2-yl)carbamoyl]amino]propanamide
CID 59325207
3-(methylamino)-N-[[3-(methylamino)propanoylamino]methyl]propanamide
CID 59678481
3-amino-N-[2-(2,3-dihydro-1H-imidazol-2-yl)ethyl]propanamide
CID 134243505
N-[1-(ethenylamino)ethenyl]-N-methylpropanamide
CID 141772379
3-(dimethylamino)-N-[[3-(dimethylamino)propanoylamino]methyl]propanamide
CID 3732802
N,N-bis[(ethenylamino)methyl]propanamide
CID 58852926
N,N-dimethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125369
N-methyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125375
3-(2-oxo-1H-imidazol-3-yl)-N-propylpropanamide
CID 103125382
N-butan-2-yl-3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125477
N-ethyl-3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125938
N-(2-methylpropyl)-3-(2-oxo-1H-imidazol-3-yl)propanamide
CID 103125944

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide?
The IUPAC name of N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide (CID 130272026) is N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide.
What is the SMILES notation for N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide?
The canonical SMILES for N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide is C=CNCCC(=O)NCNC(=O)CCNC.
What is the InChIKey of N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide?
The InChIKey is YCNYZMQJLBOFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-3-12-7-5-10(16)14-8-13-9(15)4-6-11-2/h3,11-12H,1,4-8H2,2H3,(H,13,15)(H,14,16).
What are the key properties of N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide?
N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide has a molecular weight of 228.30 g/mol, XLogP of -1.09, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethenylamino)propanoylamino]methyl]-3-(methylamino)propanamide is sourced from PubChem (CID 130272026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).