[(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea

C11H21N3O — CID 597931

IUPAC[(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea
SMILESCC1CCC(C(C)C)C(=NNC(N)=O)C1
InChIInChI=1S/C11H21N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h7-9H,4-6H2,1-3H3,(H3,12,14,15)
InChIKeyQWQKGHCCVVXGRH-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.10
Rot. Bonds2

About [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea

[(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea (PubChem CID 597931) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea.

Molecular Properties

Compound Name[(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea
PubChem CID597931
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name[(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea
SMILESCC1CCC(C(C)C)C(=NNC(N)=O)C1
InChIInChI=1S/C11H21N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h7-9H,4-6H2,1-3H3,(H3,12,14,15)
InChIKeyQWQKGHCCVVXGRH-UHFFFAOYSA-N
XLogP2.10
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.10
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 [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea?
The IUPAC name of [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea (CID 597931) is [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea.
What is the SMILES notation for [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea?
The canonical SMILES for [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea is CC1CCC(C(C)C)C(=NNC(N)=O)C1.
What is the InChIKey of [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea?
The InChIKey is QWQKGHCCVVXGRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-7(2)9-5-4-8(3)6-10(9)13-14-11(12)15/h7-9H,4-6H2,1-3H3,(H3,12,14,15).
What are the key properties of [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea?
[(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea has a molecular weight of 211.31 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-methyl-2-propan-2-ylcyclohexylidene)amino]urea is sourced from PubChem (CID 597931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).