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

C11H21N3S — CID 3941563

IUPAC1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN=CC1CCCCC1
InChIInChI=1S/C11H21N3S/c1-9(2)13-11(15)14-12-8-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyXRWNPUATZGGBMO-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.42
Rot. Bonds3

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

1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea (PubChem CID 3941563) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea.

Molecular Properties

Compound Name1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea
PubChem CID3941563
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea
SMILESCC(C)NC(=S)NN=CC1CCCCC1
InChIInChI=1S/C11H21N3S/c1-9(2)13-11(15)14-12-8-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,13,14,15)
InChIKeyXRWNPUATZGGBMO-UHFFFAOYSA-N
XLogP2.42
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.42
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-(cyclohex-3-en-1-ylmethylideneamino)-3-propan-2-ylthiourea
CID 3609168
1-[(E)-cyclohexylmethylideneamino]-3-hydroxyurea
CID 54581671
1-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-3-[(2S)-1-methoxypropan-2-yl]thiourea
CID 9175894
1-[(Z)-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methylideneamino]-3-propan-2-ylthiourea
CID 9392690
N-(cyclohexylmethylideneamino)nonanamide
CID 4285441
N-(cyclohexylmethylideneamino)dodecanamide
CID 5072532
4-bromo-N-(cyclohexylmethylideneamino)-1,3-dimethylpyrazole-5-carboxamide
CID 4773024
1-N-[(E)-cyclohexylmethylideneamino]-4-N-hydroxybenzene-1,4-dicarboxamide
CID 88553627
1-[1-(4-methylphenyl)ethylideneamino]-3-propan-2-ylthiourea
CID 3526118
1-[(Z)-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methylideneamino]-3-propan-2-ylthiourea
CID 9217044
1-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-propan-2-ylthiourea
CID 2387400
1-[(Z)-[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]methylideneamino]-3-propan-2-ylthiourea
CID 9146022

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea?
The IUPAC name of 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea (CID 3941563) is 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea.
What is the SMILES notation for 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea?
The canonical SMILES for 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea is CC(C)NC(=S)NN=CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea?
The InChIKey is XRWNPUATZGGBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(2)13-11(15)14-12-8-10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea?
1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea has a molecular weight of 227.38 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethylideneamino)-3-propan-2-ylthiourea is sourced from PubChem (CID 3941563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).