[(E)-[(2S)-2-propylcyclohexylidene]amino]urea

C10H19N3O — CID 98548381

IUPAC[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
SMILESCCC[C@H]1CCCC/C1=N\NC(N)=O
InChIInChI=1S/C10H19N3O/c1-2-5-8-6-3-4-7-9(8)12-13-10(11)14/h8H,2-7H2,1H3,(H3,11,13,14)/b12-9+/t8-/m0/s1
InChIKeyMEVUKWHWBFPUFV-IJTFOSHNSA-N
MW197.28 g/mol
LogP2.00
Rot. Bonds3

About [(E)-[(2S)-2-propylcyclohexylidene]amino]urea

[(E)-[(2S)-2-propylcyclohexylidene]amino]urea (PubChem CID 98548381) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [(E)-[(2S)-2-propylcyclohexylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
PubChem CID98548381
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
SMILESCCC[C@H]1CCCC/C1=N\NC(N)=O
InChIInChI=1S/C10H19N3O/c1-2-5-8-6-3-4-7-9(8)12-13-10(11)14/h8H,2-7H2,1H3,(H3,11,13,14)/b12-9+/t8-/m0/s1
InChIKeyMEVUKWHWBFPUFV-IJTFOSHNSA-N
XLogP2.00
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.00
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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Frequently Asked Questions

What is the IUPAC name of [(E)-[(2S)-2-propylcyclohexylidene]amino]urea?
The IUPAC name of [(E)-[(2S)-2-propylcyclohexylidene]amino]urea (CID 98548381) is [(E)-[(2S)-2-propylcyclohexylidene]amino]urea.
What is the SMILES notation for [(E)-[(2S)-2-propylcyclohexylidene]amino]urea?
The canonical SMILES for [(E)-[(2S)-2-propylcyclohexylidene]amino]urea is CCC[C@H]1CCCC/C1=N\NC(N)=O.
What is the InChIKey of [(E)-[(2S)-2-propylcyclohexylidene]amino]urea?
The InChIKey is MEVUKWHWBFPUFV-IJTFOSHNSA-N. The full InChI is InChI=1S/C10H19N3O/c1-2-5-8-6-3-4-7-9(8)12-13-10(11)14/h8H,2-7H2,1H3,(H3,11,13,14)/b12-9+/t8-/m0/s1.
What are the key properties of [(E)-[(2S)-2-propylcyclohexylidene]amino]urea?
[(E)-[(2S)-2-propylcyclohexylidene]amino]urea has a molecular weight of 197.28 g/mol, XLogP of 2.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2S)-2-propylcyclohexylidene]amino]urea is sourced from PubChem (CID 98548381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).