1-(cyclohexylideneamino)-3-propan-2-ylthiourea

C10H19N3S — CID 3888932

IUPAC1-(cyclohexylideneamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN=C1CCCCC1
InChIInChI=1S/C10H19N3S/c1-8(2)11-10(14)13-12-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeyLUEMEYSBZYYJKB-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.18
Rot. Bonds2

About 1-(cyclohexylideneamino)-3-propan-2-ylthiourea

1-(cyclohexylideneamino)-3-propan-2-ylthiourea (PubChem CID 3888932) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 1-(cyclohexylideneamino)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(cyclohexylideneamino)-3-propan-2-ylthiourea
PubChem CID3888932
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name1-(cyclohexylideneamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN=C1CCCCC1
InChIInChI=1S/C10H19N3S/c1-8(2)11-10(14)13-12-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3,(H2,11,13,14)
InChIKeyLUEMEYSBZYYJKB-UHFFFAOYSA-N
XLogP2.18
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.18
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 1-(cyclohexylideneamino)-3-propan-2-ylthiourea?
The IUPAC name of 1-(cyclohexylideneamino)-3-propan-2-ylthiourea (CID 3888932) is 1-(cyclohexylideneamino)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(cyclohexylideneamino)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(cyclohexylideneamino)-3-propan-2-ylthiourea is CC(C)NC(=S)NN=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylideneamino)-3-propan-2-ylthiourea?
The InChIKey is LUEMEYSBZYYJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)11-10(14)13-12-9-6-4-3-5-7-9/h8H,3-7H2,1-2H3,(H2,11,13,14).
What are the key properties of 1-(cyclohexylideneamino)-3-propan-2-ylthiourea?
1-(cyclohexylideneamino)-3-propan-2-ylthiourea has a molecular weight of 213.35 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylideneamino)-3-propan-2-ylthiourea is sourced from PubChem (CID 3888932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).