(3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea

C10H19N3S — CID 13151121

IUPAC(3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea
SMILESCN(C)/C=N/C(=S)NC1CCCCC1
InChIInChI=1S/C10H19N3S/c1-13(2)8-11-10(14)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/b11-8+
InChIKeyPSLODGRICCEAMB-DHZHZOJOSA-N
MW213.35 g/mol
LogP1.78
Rot. Bonds2

About (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea

(3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea (PubChem CID 13151121) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea.

Molecular Properties

Compound Name(3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea
PubChem CID13151121
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name(3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea
SMILESCN(C)/C=N/C(=S)NC1CCCCC1
InChIInChI=1S/C10H19N3S/c1-13(2)8-11-10(14)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/b11-8+
InChIKeyPSLODGRICCEAMB-DHZHZOJOSA-N
XLogP1.78
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

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CID 52445548
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CID 71338412
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Frequently Asked Questions

What is the IUPAC name of (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea?
The IUPAC name of (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea (CID 13151121) is (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea.
What is the SMILES notation for (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea?
The canonical SMILES for (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea is CN(C)/C=N/C(=S)NC1CCCCC1.
What is the InChIKey of (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea?
The InChIKey is PSLODGRICCEAMB-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19N3S/c1-13(2)8-11-10(14)12-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,12,14)/b11-8+.
What are the key properties of (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea?
(3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea has a molecular weight of 213.35 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-1-cyclohexyl-3-(dimethylaminomethylidene)thiourea is sourced from PubChem (CID 13151121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).