[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea

C10H19N3O — CID 6934624

IUPAC[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
SMILESC[C@@H]1CC(=NNC(N)=O)CC(C)(C)C1
InChIInChI=1S/C10H19N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h7H,4-6H2,1-3H3,(H3,11,13,14)/t7-/m1/s1
InChIKeyGPOZBXAWJMJAJE-SSDOTTSWSA-N
MW197.28 g/mol
LogP1.86
Rot. Bonds1

About [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea

[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea (PubChem CID 6934624) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea.

Molecular Properties

Compound Name[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
PubChem CID6934624
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea
SMILESC[C@@H]1CC(=NNC(N)=O)CC(C)(C)C1
InChIInChI=1S/C10H19N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h7H,4-6H2,1-3H3,(H3,11,13,14)/t7-/m1/s1
InChIKeyGPOZBXAWJMJAJE-SSDOTTSWSA-N
XLogP1.86
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.86
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 [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea?
The IUPAC name of [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea (CID 6934624) is [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea.
What is the SMILES notation for [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea?
The canonical SMILES for [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea is C[C@@H]1CC(=NNC(N)=O)CC(C)(C)C1.
What is the InChIKey of [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea?
The InChIKey is GPOZBXAWJMJAJE-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7-4-8(12-13-9(11)14)6-10(2,3)5-7/h7H,4-6H2,1-3H3,(H3,11,13,14)/t7-/m1/s1.
What are the key properties of [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea?
[[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea has a molecular weight of 197.28 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[(5S)-3,3,5-trimethylcyclohexylidene]amino]urea is sourced from PubChem (CID 6934624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).