2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one

C15H26N2O2 — CID 57243802

IUPAC2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one
SMILESCCC(=O)/C(C)=N/CC(C)(C)C/N=C(\C)C(=O)CC
InChIInChI=1S/C15H26N2O2/c1-7-13(18)11(3)16-9-15(5,6)10-17-12(4)14(19)8-2/h7-10H2,1-6H3/b16-11+,17-12+
InChIKeyJXPZOZNPZQAMKS-MAEUFBSDSA-N
MW266.38 g/mol
LogP2.89
Rot. Bonds8

About 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one

2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one (PubChem CID 57243802) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one.

Molecular Properties

Compound Name2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one
PubChem CID57243802
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one
SMILESCCC(=O)/C(C)=N/CC(C)(C)C/N=C(\C)C(=O)CC
InChIInChI=1S/C15H26N2O2/c1-7-13(18)11(3)16-9-15(5,6)10-17-12(4)14(19)8-2/h7-10H2,1-6H3/b16-11+,17-12+
InChIKeyJXPZOZNPZQAMKS-MAEUFBSDSA-N
XLogP2.89
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.89
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one?
The IUPAC name of 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one (CID 57243802) is 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one.
What is the SMILES notation for 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one?
The canonical SMILES for 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one is CCC(=O)/C(C)=N/CC(C)(C)C/N=C(\C)C(=O)CC.
What is the InChIKey of 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one?
The InChIKey is JXPZOZNPZQAMKS-MAEUFBSDSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-7-13(18)11(3)16-9-15(5,6)10-17-12(4)14(19)8-2/h7-10H2,1-6H3/b16-11+,17-12+.
What are the key properties of 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one?
2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one has a molecular weight of 266.38 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-dimethyl-3-(3-oxopentan-2-ylideneamino)propyl]iminopentan-3-one is sourced from PubChem (CID 57243802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).