[(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea

C11H22N6O2 — CID 93233200

IUPAC[(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea
SMILESCC[C@@H]1C/C(=N\NC(N)=O)[C@@H](NNC(N)=O)[C@@H](C)C1
InChIInChI=1S/C11H22N6O2/c1-3-7-4-6(2)9(15-17-11(13)19)8(5-7)14-16-10(12)18/h6-7,9,15H,3-5H2,1-2H3,(H3,12,16,18)(H3,13,17,19)/b14-8+/t6-,7-,9-/m0/s1
InChIKeyJEZGJNFSDKQEDR-LAYCNLHOSA-N
MW270.34 g/mol
LogP0.01
Rot. Bonds4

About [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea

[(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea (PubChem CID 93233200) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea.

Molecular Properties

Compound Name[(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea
PubChem CID93233200
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name[(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea
SMILESCC[C@@H]1C/C(=N\NC(N)=O)[C@@H](NNC(N)=O)[C@@H](C)C1
InChIInChI=1S/C11H22N6O2/c1-3-7-4-6(2)9(15-17-11(13)19)8(5-7)14-16-10(12)18/h6-7,9,15H,3-5H2,1-2H3,(H3,12,16,18)(H3,13,17,19)/b14-8+/t6-,7-,9-/m0/s1
InChIKeyJEZGJNFSDKQEDR-LAYCNLHOSA-N
XLogP0.01
TPSA134.63 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

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

[(E)-[(2R,3S,6S)-2-ethyl-3,6-dimethylthian-4-ylidene]amino]urea
CID 98066432
[[(2R,3S,6S)-2-ethyl-3,6-dimethylthian-4-ylidene]amino]urea
CID 7369295
[(Z)-[(1S,4R,5R)-4,6,6-trimethyl-2-bicyclo[3.1.1]heptanylidene]amino]urea
CID 7380767
[[(1R,2S,5S,6S,8R,9R)-11-(carbamoylhydrazinylidene)-3-tetracyclo[6.3.0.02,6.05,9]undecanylidene]amino]urea
CID 129421568
[(Z)-(2-methylcyclohexylidene)amino]urea
CID 5374162
[[(2S,3R,5S)-5-acetyl-3-benzyl-2-methylcyclohexylidene]amino]urea
CID 124767661
[(Z)-[(2S,3S,5S)-5-acetyl-3-benzyl-2-methylcyclohexylidene]amino]urea
CID 93153204
[(E)-[(2S)-2-propylcyclohexylidene]amino]urea
CID 98548381
[(E)-[(1S,2S,3R,4S,6R,7S)-8-tetracyclo[4.3.0.02,4.03,7]nonanylidene]amino]urea
CID 98541116
[(E)-(3-methyl-2,6-diphenylselenan-4-ylidene)amino]urea
CID 11825208
[(E)-(3-methylcyclopentylidene)amino]urea
CID 5380591
[(E)-[(2Z,4Z)-7-bicyclo[4.2.2]deca-2,4,9-trienylidene]amino]urea
CID 6186522

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea?
The IUPAC name of [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea (CID 93233200) is [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea.
What is the SMILES notation for [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea?
The canonical SMILES for [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea is CC[C@@H]1C/C(=N\NC(N)=O)[C@@H](NNC(N)=O)[C@@H](C)C1.
What is the InChIKey of [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea?
The InChIKey is JEZGJNFSDKQEDR-LAYCNLHOSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-3-7-4-6(2)9(15-17-11(13)19)8(5-7)14-16-10(12)18/h6-7,9,15H,3-5H2,1-2H3,(H3,12,16,18)(H3,13,17,19)/b14-8+/t6-,7-,9-/m0/s1.
What are the key properties of [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea?
[(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea has a molecular weight of 270.34 g/mol, XLogP of 0.01, 4 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2S,3S,5S)-2-(2-carbamoylhydrazinyl)-5-ethyl-3-methylcyclohexylidene]amino]urea is sourced from PubChem (CID 93233200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).