5-amino-5-(propan-2-ylideneamino)pentan-2-one

C8H16N2O — CID 155108675

IUPAC5-amino-5-(propan-2-ylideneamino)pentan-2-one
SMILESCC(=O)CCC(N)N=C(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)10-8(9)5-4-7(3)11/h8H,4-5,9H2,1-3H3
InChIKeyUJXWRDUIBVRJRU-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.12
Rot. Bonds4

About 5-amino-5-(propan-2-ylideneamino)pentan-2-one

5-amino-5-(propan-2-ylideneamino)pentan-2-one (PubChem CID 155108675) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 5-amino-5-(propan-2-ylideneamino)pentan-2-one.

Molecular Properties

Compound Name5-amino-5-(propan-2-ylideneamino)pentan-2-one
PubChem CID155108675
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name5-amino-5-(propan-2-ylideneamino)pentan-2-one
SMILESCC(=O)CCC(N)N=C(C)C
InChIInChI=1S/C8H16N2O/c1-6(2)10-8(9)5-4-7(3)11/h8H,4-5,9H2,1-3H3
InChIKeyUJXWRDUIBVRJRU-UHFFFAOYSA-N
XLogP1.12
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-5-(propan-2-ylideneamino)pentan-2-one?
The IUPAC name of 5-amino-5-(propan-2-ylideneamino)pentan-2-one (CID 155108675) is 5-amino-5-(propan-2-ylideneamino)pentan-2-one.
What is the SMILES notation for 5-amino-5-(propan-2-ylideneamino)pentan-2-one?
The canonical SMILES for 5-amino-5-(propan-2-ylideneamino)pentan-2-one is CC(=O)CCC(N)N=C(C)C.
What is the InChIKey of 5-amino-5-(propan-2-ylideneamino)pentan-2-one?
The InChIKey is UJXWRDUIBVRJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)10-8(9)5-4-7(3)11/h8H,4-5,9H2,1-3H3.
What are the key properties of 5-amino-5-(propan-2-ylideneamino)pentan-2-one?
5-amino-5-(propan-2-ylideneamino)pentan-2-one has a molecular weight of 156.23 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5-(propan-2-ylideneamino)pentan-2-one is sourced from PubChem (CID 155108675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).