3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide

C10H23N5O — CID 143378988

IUPAC3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CCN)CCN/C=C/N
InChIInChI=1S/C10H23N5O/c1-13-10(16)2-7-15(8-4-12)9-6-14-5-3-11/h3,5,14H,2,4,6-9,11-12H2,1H3,(H,13,16)/b5-3+
InChIKeyNOMWCPXTHWXDAI-HWKANZROSA-N
MW229.33 g/mol
LogP-1.60
Rot. Bonds9

About 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide

3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide (PubChem CID 143378988) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide
PubChem CID143378988
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC Name3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCN(CCN)CCN/C=C/N
InChIInChI=1S/C10H23N5O/c1-13-10(16)2-7-15(8-4-12)9-6-14-5-3-11/h3,5,14H,2,4,6-9,11-12H2,1H3,(H,13,16)/b5-3+
InChIKeyNOMWCPXTHWXDAI-HWKANZROSA-N
XLogP-1.60
TPSA96.41 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-1.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide (CID 143378988) is 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide is CNC(=O)CCN(CCN)CCN/C=C/N.
What is the InChIKey of 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide?
The InChIKey is NOMWCPXTHWXDAI-HWKANZROSA-N. The full InChI is InChI=1S/C10H23N5O/c1-13-10(16)2-7-15(8-4-12)9-6-14-5-3-11/h3,5,14H,2,4,6-9,11-12H2,1H3,(H,13,16)/b5-3+.
What are the key properties of 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide?
3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide has a molecular weight of 229.33 g/mol, XLogP of -1.60, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[(E)-2-aminoethenyl]amino]ethyl-(2-aminoethyl)amino]-N-methylpropanamide is sourced from PubChem (CID 143378988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).