1-cyclohexyl-3-(diethylamino)thiourea

C11H23N3S — CID 674715

IUPAC1-cyclohexyl-3-(diethylamino)thiourea
SMILESCCN(CC)NC(=S)NC1CCCCC1
InChIInChI=1S/C11H23N3S/c1-3-14(4-2)13-11(15)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyRYMNDDVCVHFALK-UHFFFAOYSA-N
MW229.39 g/mol
LogP2.04
Rot. Bonds4

About 1-cyclohexyl-3-(diethylamino)thiourea

1-cyclohexyl-3-(diethylamino)thiourea (PubChem CID 674715) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(diethylamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(diethylamino)thiourea
PubChem CID674715
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-cyclohexyl-3-(diethylamino)thiourea
SMILESCCN(CC)NC(=S)NC1CCCCC1
InChIInChI=1S/C11H23N3S/c1-3-14(4-2)13-11(15)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H2,12,13,15)
InChIKeyRYMNDDVCVHFALK-UHFFFAOYSA-N
XLogP2.04
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-cyclohexyl-3-(diethylamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(diethylamino)thiourea (CID 674715) is 1-cyclohexyl-3-(diethylamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(diethylamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(diethylamino)thiourea is CCN(CC)NC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(diethylamino)thiourea?
The InChIKey is RYMNDDVCVHFALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-3-14(4-2)13-11(15)12-10-8-6-5-7-9-10/h10H,3-9H2,1-2H3,(H2,12,13,15).
What are the key properties of 1-cyclohexyl-3-(diethylamino)thiourea?
1-cyclohexyl-3-(diethylamino)thiourea has a molecular weight of 229.39 g/mol, XLogP of 2.04, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(diethylamino)thiourea is sourced from PubChem (CID 674715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).