[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea

C11H21N3S — CID 107430497

IUPAC[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea
SMILESCC(C)CC1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C11H21N3S/c1-8(2)6-9-4-3-5-10(7-9)13-14-11(12)15/h8-9H,3-7H2,1-2H3,(H3,12,14,15)
InChIKeyKPJIWGQEXONXEK-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.41
Rot. Bonds3

About [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea

[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea (PubChem CID 107430497) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea.

Molecular Properties

Compound Name[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea
PubChem CID107430497
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea
SMILESCC(C)CC1CCCC(=NNC(N)=S)C1
InChIInChI=1S/C11H21N3S/c1-8(2)6-9-4-3-5-10(7-9)13-14-11(12)15/h8-9H,3-7H2,1-2H3,(H3,12,14,15)
InChIKeyKPJIWGQEXONXEK-UHFFFAOYSA-N
XLogP2.41
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.41
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea?
The IUPAC name of [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea (CID 107430497) is [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea.
What is the SMILES notation for [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea?
The canonical SMILES for [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea is CC(C)CC1CCCC(=NNC(N)=S)C1.
What is the InChIKey of [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea?
The InChIKey is KPJIWGQEXONXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8(2)6-9-4-3-5-10(7-9)13-14-11(12)15/h8-9H,3-7H2,1-2H3,(H3,12,14,15).
What are the key properties of [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea?
[[3-(2-methylpropyl)cyclohexylidene]amino]thiourea has a molecular weight of 227.38 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-(2-methylpropyl)cyclohexylidene]amino]thiourea is sourced from PubChem (CID 107430497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).