2-(2,4-diiminopentan-3-ylideneamino)propanamide

C8H14N4O — CID 123797848

IUPAC2-(2,4-diiminopentan-3-ylideneamino)propanamide
SMILES[H]/N=C(\C)C(=NC(C)C(N)=O)/C(C)=N/[H]
InChIInChI=1S/C8H14N4O/c1-4(9)7(5(2)10)12-6(3)8(11)13/h6,9-10H,1-3H3,(H2,11,13)/b9-4+,10-5+
InChIKeyQJCPUOODMBPJDC-LUZURFALSA-N
MW182.23 g/mol
LogP0.38
Rot. Bonds4

About 2-(2,4-diiminopentan-3-ylideneamino)propanamide

2-(2,4-diiminopentan-3-ylideneamino)propanamide (PubChem CID 123797848) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-(2,4-diiminopentan-3-ylideneamino)propanamide.

Molecular Properties

Compound Name2-(2,4-diiminopentan-3-ylideneamino)propanamide
PubChem CID123797848
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-(2,4-diiminopentan-3-ylideneamino)propanamide
SMILES[H]/N=C(\C)C(=NC(C)C(N)=O)/C(C)=N/[H]
InChIInChI=1S/C8H14N4O/c1-4(9)7(5(2)10)12-6(3)8(11)13/h6,9-10H,1-3H3,(H2,11,13)/b9-4+,10-5+
InChIKeyQJCPUOODMBPJDC-LUZURFALSA-N
XLogP0.38
TPSA103.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(Propan-2-ylideneamino)propanamide
CID 55290813
3-Ethylimino-2-isocyanobutanamide
CID 90749250
4-(1-Amino-1-oxopropan-2-yl)imino-2-iminopentanamide
CID 123939768
(2R)-2-(propan-2-ylideneamino)propanamide
CID 144775164
2-(Propan-2-ylideneamino)acetamide
CID 55289705
6-ethyl-5-methyl-3-oxo-2H-pyrazine-2-carboxamide
CID 72956295
5-ethyl-6-methyl-3-oxo-2H-pyrazine-2-carboxamide
CID 72956296
Propanamide, 2-(cyclopentylideneamino)-
CID 85646415

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-diiminopentan-3-ylideneamino)propanamide?
The IUPAC name of 2-(2,4-diiminopentan-3-ylideneamino)propanamide (CID 123797848) is 2-(2,4-diiminopentan-3-ylideneamino)propanamide.
What is the SMILES notation for 2-(2,4-diiminopentan-3-ylideneamino)propanamide?
The canonical SMILES for 2-(2,4-diiminopentan-3-ylideneamino)propanamide is [H]/N=C(\C)C(=NC(C)C(N)=O)/C(C)=N/[H].
What is the InChIKey of 2-(2,4-diiminopentan-3-ylideneamino)propanamide?
The InChIKey is QJCPUOODMBPJDC-LUZURFALSA-N. The full InChI is InChI=1S/C8H14N4O/c1-4(9)7(5(2)10)12-6(3)8(11)13/h6,9-10H,1-3H3,(H2,11,13)/b9-4+,10-5+.
What are the key properties of 2-(2,4-diiminopentan-3-ylideneamino)propanamide?
2-(2,4-diiminopentan-3-ylideneamino)propanamide has a molecular weight of 182.23 g/mol, XLogP of 0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-diiminopentan-3-ylideneamino)propanamide is sourced from PubChem (CID 123797848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).