[(Z)-1-(oxan-4-yl)heptylideneamino]urea

C13H25N3O2 — CID 5385352

IUPAC[(Z)-1-(oxan-4-yl)heptylideneamino]urea
SMILESCCCCCC/C(=N/NC(N)=O)C1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-2-3-4-5-6-12(15-16-13(14)17)11-7-9-18-10-8-11/h11H,2-10H2,1H3,(H3,14,16,17)/b15-12-
InChIKeyNERRYOQMUJCUHZ-QINSGFPZSA-N
MW255.36 g/mol
LogP2.41
Rot. Bonds7

About [(Z)-1-(oxan-4-yl)heptylideneamino]urea

[(Z)-1-(oxan-4-yl)heptylideneamino]urea (PubChem CID 5385352) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is [(Z)-1-(oxan-4-yl)heptylideneamino]urea.

Molecular Properties

Compound Name[(Z)-1-(oxan-4-yl)heptylideneamino]urea
PubChem CID5385352
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Name[(Z)-1-(oxan-4-yl)heptylideneamino]urea
SMILESCCCCCC/C(=N/NC(N)=O)C1CCOCC1
InChIInChI=1S/C13H25N3O2/c1-2-3-4-5-6-12(15-16-13(14)17)11-7-9-18-10-8-11/h11H,2-10H2,1H3,(H3,14,16,17)/b15-12-
InChIKeyNERRYOQMUJCUHZ-QINSGFPZSA-N
XLogP2.41
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(Z)-1-(oxan-4-yl)butylideneamino]urea
CID 5385348
[(E)-[4-methyl-1-(oxan-4-yl)pentylidene]amino]urea
CID 6391897
Butan-2-one, 4-(2,2-dimethyltetrahydrofuran-3-yl)-, semicarbazone
CID 9602649
[(E)-[2-(2-butoxyethyl)cyclopentylidene]amino]urea
CID 58020445
[1-(Oxan-4-yl)butylideneamino]urea
CID 345661
[[4-Methyl-1-(oxan-4-yl)pentylidene]amino]urea
CID 345673
[1-(Oxan-4-yl)heptylideneamino]urea
CID 345684
[(Z)-[4-methyl-1-(oxan-4-yl)pentylidene]amino]urea
CID 5385350
(2E)-2-[1-(Oxan-4-yl)butylidene]hydrazine-1-carboxamide
CID 6381629
[(E)-1-(oxan-4-yl)heptylideneamino]urea
CID 9569515
[(Z)-(2-propyloxan-4-ylidene)amino]urea
CID 64206217
[(2-Propan-2-yloxan-4-ylidene)amino]urea
CID 77022540

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-(oxan-4-yl)heptylideneamino]urea?
The IUPAC name of [(Z)-1-(oxan-4-yl)heptylideneamino]urea (CID 5385352) is [(Z)-1-(oxan-4-yl)heptylideneamino]urea.
What is the SMILES notation for [(Z)-1-(oxan-4-yl)heptylideneamino]urea?
The canonical SMILES for [(Z)-1-(oxan-4-yl)heptylideneamino]urea is CCCCCC/C(=N/NC(N)=O)C1CCOCC1.
What is the InChIKey of [(Z)-1-(oxan-4-yl)heptylideneamino]urea?
The InChIKey is NERRYOQMUJCUHZ-QINSGFPZSA-N. The full InChI is InChI=1S/C13H25N3O2/c1-2-3-4-5-6-12(15-16-13(14)17)11-7-9-18-10-8-11/h11H,2-10H2,1H3,(H3,14,16,17)/b15-12-.
What are the key properties of [(Z)-1-(oxan-4-yl)heptylideneamino]urea?
[(Z)-1-(oxan-4-yl)heptylideneamino]urea has a molecular weight of 255.36 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-(oxan-4-yl)heptylideneamino]urea is sourced from PubChem (CID 5385352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).