1-cyclohexyl-3-(cyclooctylideneamino)thiourea

C15H27N3S — CID 7933892

IUPAC1-cyclohexyl-3-(cyclooctylideneamino)thiourea
SMILESS=C(NN=C1CCCCCCC1)NC1CCCCC1
InChIInChI=1S/C15H27N3S/c19-15(16-13-9-7-4-8-10-13)18-17-14-11-5-2-1-3-6-12-14/h13H,1-12H2,(H2,16,18,19)
InChIKeyPMUBMUQZQUHUEE-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.88
Rot. Bonds2

About 1-cyclohexyl-3-(cyclooctylideneamino)thiourea

1-cyclohexyl-3-(cyclooctylideneamino)thiourea (PubChem CID 7933892) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-(cyclooctylideneamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(cyclooctylideneamino)thiourea
PubChem CID7933892
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-cyclohexyl-3-(cyclooctylideneamino)thiourea
SMILESS=C(NN=C1CCCCCCC1)NC1CCCCC1
InChIInChI=1S/C15H27N3S/c19-15(16-13-9-7-4-8-10-13)18-17-14-11-5-2-1-3-6-12-14/h13H,1-12H2,(H2,16,18,19)
InChIKeyPMUBMUQZQUHUEE-UHFFFAOYSA-N
XLogP3.88
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.88
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-(cyclobutylideneamino)-3-cyclopropylthiourea
CID 131041438
1-(cyclohexylideneamino)-3-[(1S,2S)-2-methylcyclohexyl]thiourea
CID 9122148
1-(cycloheptylideneamino)-3-[(1R,2S)-2-methylcyclohexyl]thiourea
CID 9122110
1-cyclohexyl-3-[[(2R)-2-methylcyclohexylidene]amino]thiourea
CID 129360267
1-[(1S,2R,4R)-2-bicyclo[2.2.1]heptanyl]-3-(cyclopentylideneamino)thiourea
CID 18389130
1-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylcyclohexylidene)amino]thiourea
CID 9122105
(cyclopentylideneamino)thiourea
CID 690102
methyl N-(cyclohexylideneamino)carbamodithioate
CID 2830668
cyclooctylcarbamodithioic acid
CID 150069729
1-cyclohexyl-3-[(E)-[(4-fluorophenyl)-phenylmethylidene]amino]thiourea
CID 17337965
N-(cyclohexylideneamino)hydroxylamine
CID 12671827
1-cyclohexyl-3-[(E)-(4-ethylphenyl)methylideneamino]thiourea
CID 42991509

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(cyclooctylideneamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(cyclooctylideneamino)thiourea (CID 7933892) is 1-cyclohexyl-3-(cyclooctylideneamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(cyclooctylideneamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(cyclooctylideneamino)thiourea is S=C(NN=C1CCCCCCC1)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(cyclooctylideneamino)thiourea?
The InChIKey is PMUBMUQZQUHUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c19-15(16-13-9-7-4-8-10-13)18-17-14-11-5-2-1-3-6-12-14/h13H,1-12H2,(H2,16,18,19).
What are the key properties of 1-cyclohexyl-3-(cyclooctylideneamino)thiourea?
1-cyclohexyl-3-(cyclooctylideneamino)thiourea has a molecular weight of 281.47 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(cyclooctylideneamino)thiourea is sourced from PubChem (CID 7933892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).