3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine

C10H23N5O — CID 143058878

IUPAC3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine
SMILESCCNC.CCNC(=O)C/C(N)=N/C=N/C
InChIInChI=1S/C7H14N4O.C3H9N/c1-3-10-7(12)4-6(8)11-5-9-2;1-3-4-2/h5H,3-4H2,1-2H3,(H,10,12)(H2,8,9,11);4H,3H2,1-2H3
InChIKeyWQQSAZRRPWJOAC-UHFFFAOYSA-N
MW229.33 g/mol
LogP-0.25
Rot. Bonds5

About 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine

3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine (PubChem CID 143058878) has the molecular formula C10H23N5O and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine.

Molecular Properties

Compound Name3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine
PubChem CID143058878
Molecular FormulaC10H23N5O
Molecular Weight229.33 g/mol
Exact Mass229.19
IUPAC Name3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine
SMILESCCNC.CCNC(=O)C/C(N)=N/C=N/C
InChIInChI=1S/C7H14N4O.C3H9N/c1-3-10-7(12)4-6(8)11-5-9-2;1-3-4-2/h5H,3-4H2,1-2H3,(H,10,12)(H2,8,9,11);4H,3H2,1-2H3
InChIKeyWQQSAZRRPWJOAC-UHFFFAOYSA-N
XLogP-0.25
TPSA91.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine?
The IUPAC name of 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine (CID 143058878) is 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine.
What is the SMILES notation for 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine?
The canonical SMILES for 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine is CCNC.CCNC(=O)C/C(N)=N/C=N/C.
What is the InChIKey of 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine?
The InChIKey is WQQSAZRRPWJOAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O.C3H9N/c1-3-10-7(12)4-6(8)11-5-9-2;1-3-4-2/h5H,3-4H2,1-2H3,(H,10,12)(H2,8,9,11);4H,3H2,1-2H3.
What are the key properties of 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine?
3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine has a molecular weight of 229.33 g/mol, XLogP of -0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-3-(methyliminomethylimino)propanamide;N-methylethanamine is sourced from PubChem (CID 143058878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).