(cyclohexylideneamino)urea

C7H13N3O — CID 15320

IUPAC(cyclohexylideneamino)urea
SMILESNC(=O)NN=C1CCCCC1
InChIInChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)
InChIKeyKZDDDHJBINUIKQ-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.97
Rot. Bonds1

About (cyclohexylideneamino)urea

(cyclohexylideneamino)urea (PubChem CID 15320) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is (cyclohexylideneamino)urea.

Molecular Properties

Compound Name(cyclohexylideneamino)urea
PubChem CID15320
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name(cyclohexylideneamino)urea
SMILESNC(=O)NN=C1CCCCC1
InChIInChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11)
InChIKeyKZDDDHJBINUIKQ-UHFFFAOYSA-N
XLogP0.97
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Butan-2-ylideneamino)urea
CID 5324390
2-Cyclopentylidenehydrazinecarboxamide
CID 230306
[(Z)-butan-2-ylideneamino]urea
CID 5324285
3-Pentanone, semicarbazone
CID 231362
1,3-Bis(cyclohexylideneamino)urea
CID 381047
[(Z)-heptan-3-ylideneamino]urea
CID 6014846
2-(1-Methylpropylidene)hydrazinecarboxamide
CID 12213
Hydrazinecarboxamide, 2-(1-methylhexylidene)-
CID 5385428
Methyl n-propyl ketone semicarbazone
CID 264640
2-Hexanone, semicarbazone
CID 5385760
ST51009072
CID 349205
Butylmethylketone semicarbazone
CID 349720

Frequently Asked Questions

What is the IUPAC name of (cyclohexylideneamino)urea?
The IUPAC name of (cyclohexylideneamino)urea (CID 15320) is (cyclohexylideneamino)urea.
What is the SMILES notation for (cyclohexylideneamino)urea?
The canonical SMILES for (cyclohexylideneamino)urea is NC(=O)NN=C1CCCCC1.
What is the InChIKey of (cyclohexylideneamino)urea?
The InChIKey is KZDDDHJBINUIKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c8-7(11)10-9-6-4-2-1-3-5-6/h1-5H2,(H3,8,10,11).
What are the key properties of (cyclohexylideneamino)urea?
(cyclohexylideneamino)urea has a molecular weight of 155.20 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (cyclohexylideneamino)urea is sourced from PubChem (CID 15320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).