4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one

C14H25N3O2 — CID 139771301

IUPAC4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one
SMILESCC(=O)C/C(C)=N/CCNCC/N=C(\C)CC(C)=O
InChIInChI=1S/C14H25N3O2/c1-11(9-13(3)18)16-7-5-15-6-8-17-12(2)10-14(4)19/h15H,5-10H2,1-4H3/b16-11+,17-12+
InChIKeyLAXPAQNFAZASIX-MAEUFBSDSA-N
MW267.37 g/mol
LogP1.46
Rot. Bonds10

About 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one

4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one (PubChem CID 139771301) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one.

Molecular Properties

Compound Name4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one
PubChem CID139771301
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one
SMILESCC(=O)C/C(C)=N/CCNCC/N=C(\C)CC(C)=O
InChIInChI=1S/C14H25N3O2/c1-11(9-13(3)18)16-7-5-15-6-8-17-12(2)10-14(4)19/h15H,5-10H2,1-4H3/b16-11+,17-12+
InChIKeyLAXPAQNFAZASIX-MAEUFBSDSA-N
XLogP1.46
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

4-[2-(3-Aminopropylamino)ethylimino]pentan-2-one
CID 91233415
3,14-Dimethyl-4,7,10,13-tetraazahexadeca-3,13-diene-2,15-dione
CID 129657434
15-Amino-3-methyl-4,7,10,13-tetraazapentadeca-3-ene-2-one
CID 129675665
1,1,1,5,5,5-Hexafluoro-4-[2-[2-[(1,1,1,5,5,5-hexafluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one
CID 102512841
1,1,1-Trifluoro-4-[2-[2-[(5,5,5-trifluoro-4-oxopentan-2-ylidene)amino]ethylamino]ethylimino]pentan-2-one
CID 102512842
4-[2-(Methylamino)ethylimino]pentan-2-one
CID 118002001
4-[2-(4-Oxopentan-2-ylideneamino)ethylamino]pentan-2-one
CID 123987908
4-[3-[3-(4-Oxopentan-2-ylideneamino)propylamino]propylimino]pentan-2-one
CID 139714400
4-[2-[2-(3-Oxobutylideneamino)ethylamino]ethylimino]butan-2-one
CID 139771305
4-(2-Aminoethylimino)pentan-2-one;ethane
CID 144821709
5,7-Dimethyl-1,4,8,11-tetrazacyclotetradeca-4,7-dien-6-one
CID 153281312
Beryllium 4-oxoniumylidenepentan-2-ylidene-[2-(4-oxoniumylidenepentan-2-ylideneazaniumyl)ethyl]azanium
CID 50911412

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one?
The IUPAC name of 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one (CID 139771301) is 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one.
What is the SMILES notation for 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one?
The canonical SMILES for 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one is CC(=O)C/C(C)=N/CCNCC/N=C(\C)CC(C)=O.
What is the InChIKey of 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one?
The InChIKey is LAXPAQNFAZASIX-MAEUFBSDSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-11(9-13(3)18)16-7-5-15-6-8-17-12(2)10-14(4)19/h15H,5-10H2,1-4H3/b16-11+,17-12+.
What are the key properties of 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one?
4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one has a molecular weight of 267.37 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(4-oxopentan-2-ylideneamino)ethylamino]ethylimino]pentan-2-one is sourced from PubChem (CID 139771301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).