[(4-tert-butylcyclohexylidene)amino]urea

C11H21N3O — CID 3269978

IUPAC[(4-tert-butylcyclohexylidene)amino]urea
SMILESCC(C)(C)C1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C11H21N3O/c1-11(2,3)8-4-6-9(7-5-8)13-14-10(12)15/h8H,4-7H2,1-3H3,(H3,12,14,15)/b13-9-
InChIKeyYJHJPZOHGBLPPQ-LCYFTJDESA-N
MW211.31 g/mol
LogP2.25
Rot. Bonds1

About [(4-tert-butylcyclohexylidene)amino]urea

[(4-tert-butylcyclohexylidene)amino]urea (PubChem CID 3269978) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(4-tert-butylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(4-tert-butylcyclohexylidene)amino]urea
PubChem CID3269978
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(4-tert-butylcyclohexylidene)amino]urea
SMILESCC(C)(C)C1CCC(=NNC(N)=O)CC1
InChIInChI=1S/C11H21N3O/c1-11(2,3)8-4-6-9(7-5-8)13-14-10(12)15/h8H,4-7H2,1-3H3,(H3,12,14,15)/b13-9-
InChIKeyYJHJPZOHGBLPPQ-LCYFTJDESA-N
XLogP2.25
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.25
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 [(4-tert-butylcyclohexylidene)amino]urea?
The IUPAC name of [(4-tert-butylcyclohexylidene)amino]urea (CID 3269978) is [(4-tert-butylcyclohexylidene)amino]urea.
What is the SMILES notation for [(4-tert-butylcyclohexylidene)amino]urea?
The canonical SMILES for [(4-tert-butylcyclohexylidene)amino]urea is CC(C)(C)C1CCC(=NNC(N)=O)CC1.
What is the InChIKey of [(4-tert-butylcyclohexylidene)amino]urea?
The InChIKey is YJHJPZOHGBLPPQ-LCYFTJDESA-N. The full InChI is InChI=1S/C11H21N3O/c1-11(2,3)8-4-6-9(7-5-8)13-14-10(12)15/h8H,4-7H2,1-3H3,(H3,12,14,15)/b13-9-.
What are the key properties of [(4-tert-butylcyclohexylidene)amino]urea?
[(4-tert-butylcyclohexylidene)amino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-tert-butylcyclohexylidene)amino]urea is sourced from PubChem (CID 3269978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).