3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide

C8H18N4O — CID 54140832

IUPAC3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide
SMILESCC(/C=N/CCNCCN)C(N)=O
InChIInChI=1S/C8H18N4O/c1-7(8(10)13)6-12-5-4-11-3-2-9/h6-7,11H,2-5,9H2,1H3,(H2,10,13)/b12-6+
InChIKeyOAYZOZVWNOQZKH-WUXMJOGZSA-N
MW186.26 g/mol
LogP-1.27
Rot. Bonds7

About 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide

3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide (PubChem CID 54140832) has the molecular formula C8H18N4O and a molecular weight of 186.26 g/mol. Its IUPAC name is 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide.

Molecular Properties

Compound Name3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide
PubChem CID54140832
Molecular FormulaC8H18N4O
Molecular Weight186.26 g/mol
Exact Mass186.15
IUPAC Name3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide
SMILESCC(/C=N/CCNCCN)C(N)=O
InChIInChI=1S/C8H18N4O/c1-7(8(10)13)6-12-5-4-11-3-2-9/h6-7,11H,2-5,9H2,1H3,(H2,10,13)/b12-6+
InChIKeyOAYZOZVWNOQZKH-WUXMJOGZSA-N
XLogP-1.27
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethylamino]ethylimino]-2-methylpropanamide
CID 53802976
3-[2-[2-[2-(2-Aminoethylamino)ethylamino]ethylamino]ethylimino]-2-methylpropanamide
CID 53803188
N-[2-(3-iminopropylideneamino)ethyl]propanamide
CID 123206611
N-(2-methanimidoyl-3-methyliminopropyl)propanamide
CID 124031412
3-[2-[2-(2-aminoethylamino)ethylimino]ethylamino]-N-methylpropanamide
CID 143378982
(2S)-N-ethyl-2-(2-methylpropylideneamino)propanamide
CID 166078712
2-[Methyl-[2-[2-(2-methylpropylideneamino)ethylamino]-2-oxoethyl]amino]acetamide
CID 169146597
N-methyl-2-(2-methylpropylideneamino)acetamide
CID 55302306
N-[2-(dimethylamino)ethyl]-3-methyliminopropanamide
CID 142859333

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide?
The IUPAC name of 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide (CID 54140832) is 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide.
What is the SMILES notation for 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide?
The canonical SMILES for 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide is CC(/C=N/CCNCCN)C(N)=O.
What is the InChIKey of 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide?
The InChIKey is OAYZOZVWNOQZKH-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H18N4O/c1-7(8(10)13)6-12-5-4-11-3-2-9/h6-7,11H,2-5,9H2,1H3,(H2,10,13)/b12-6+.
What are the key properties of 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide?
3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide has a molecular weight of 186.26 g/mol, XLogP of -1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethylamino)ethylimino]-2-methylpropanamide is sourced from PubChem (CID 54140832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).