1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea

C15H21N3S — CID 7930447

IUPAC1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea
SMILESCc1cccc(C)c1NC(=S)NN=C1CCCCC1
InChIInChI=1S/C15H21N3S/c1-11-7-6-8-12(2)14(11)16-15(19)18-17-13-9-4-3-5-10-13/h6-8H,3-5,9-10H2,1-2H3,(H2,16,18,19)
InChIKeyUORYAGASLOIRFU-UHFFFAOYSA-N
MW275.42 g/mol
LogP3.91
Rot. Bonds2

About 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea

1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea (PubChem CID 7930447) has the molecular formula C15H21N3S and a molecular weight of 275.42 g/mol. Its IUPAC name is 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea.

Molecular Properties

Compound Name1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea
PubChem CID7930447
Molecular FormulaC15H21N3S
Molecular Weight275.42 g/mol
Exact Mass275.15
IUPAC Name1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea
SMILESCc1cccc(C)c1NC(=S)NN=C1CCCCC1
InChIInChI=1S/C15H21N3S/c1-11-7-6-8-12(2)14(11)16-15(19)18-17-13-9-4-3-5-10-13/h6-8H,3-5,9-10H2,1-2H3,(H2,16,18,19)
InChIKeyUORYAGASLOIRFU-UHFFFAOYSA-N
XLogP3.91
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.42
LogP ≤ 53.91
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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Related Compounds

1-[(4-tert-butylcyclohexylidene)amino]-3-(2,6-dimethylphenyl)thiourea
CID 7930486
1-(cyclohexylideneamino)-3-(3-methylphenyl)thiourea
CID 3652809
1-[(Z)-2,3-dihydroinden-1-ylideneamino]-3-(2,6-dimethylphenyl)thiourea
CID 7930495
1-(cyclododecylideneamino)-3-(2-methoxyphenyl)thiourea
CID 4134522
N-(2,6-dimethylphenyl)azepane-1-carbothioamide
CID 4144359
1-[(E)-[(Z)-2,4-dimethylpent-2-enylidene]amino]-3-(2,6-dimethylphenyl)thiourea
CID 135138920
1-(2,6-dimethylphenyl)-3-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]thiourea
CID 7930509
1-(2-methylphenyl)-3-[(E)-6,7,8,9-tetrahydrobenzo[7]annulen-5-ylideneamino]thiourea
CID 7933475
methyl N-(cyclohexylideneamino)carbamodithioate
CID 2830668
1-(2,6-dimethylphenyl)-3-[1-(4-hydroxyphenyl)propylideneamino]thiourea
CID 3661334
1-[(E)-(3-methylcyclohexylidene)amino]-3-(3-methylphenyl)thiourea
CID 6271679
N-(cyclododecylideneamino)-3-methylbenzamide
CID 4110960

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea?
The IUPAC name of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea (CID 7930447) is 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea.
What is the SMILES notation for 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea?
The canonical SMILES for 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea is Cc1cccc(C)c1NC(=S)NN=C1CCCCC1.
What is the InChIKey of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea?
The InChIKey is UORYAGASLOIRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3S/c1-11-7-6-8-12(2)14(11)16-15(19)18-17-13-9-4-3-5-10-13/h6-8H,3-5,9-10H2,1-2H3,(H2,16,18,19).
What are the key properties of 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea?
1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea has a molecular weight of 275.42 g/mol, XLogP of 3.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylideneamino)-3-(2,6-dimethylphenyl)thiourea is sourced from PubChem (CID 7930447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).