1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea

C13H24N2S — CID 165175604

IUPAC1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea
SMILESCC1CCCC(C=CCNC(=S)N(C)C)C1
InChIInChI=1S/C13H24N2S/c1-11-6-4-7-12(10-11)8-5-9-14-13(16)15(2)3/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,14,16)
InChIKeyLDOBTBIYWWKTKP-UHFFFAOYSA-N
MW240.42 g/mol
LogP2.81
Rot. Bonds3

About 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea

1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea (PubChem CID 165175604) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea.

Molecular Properties

Compound Name1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea
PubChem CID165175604
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea
SMILESCC1CCCC(C=CCNC(=S)N(C)C)C1
InChIInChI=1S/C13H24N2S/c1-11-6-4-7-12(10-11)8-5-9-14-13(16)15(2)3/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,14,16)
InChIKeyLDOBTBIYWWKTKP-UHFFFAOYSA-N
XLogP2.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(Endo-bicyclo[3.3.1]non-6-en-3-yl)-methyl]-3-t-butylthiourea
CID 156612544
3-Cyclohexylprop-2-enylthiourea
CID 165175601
1-(3-Cyclohexylprop-2-enyl)-1-methylthiourea
CID 165175605
1-(Cyclohex-3-en-1-ylmethyl)-3-ethylthiourea
CID 130875150

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea?
The IUPAC name of 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea (CID 165175604) is 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea.
What is the SMILES notation for 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea?
The canonical SMILES for 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea is CC1CCCC(C=CCNC(=S)N(C)C)C1.
What is the InChIKey of 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea?
The InChIKey is LDOBTBIYWWKTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-11-6-4-7-12(10-11)8-5-9-14-13(16)15(2)3/h5,8,11-12H,4,6-7,9-10H2,1-3H3,(H,14,16).
What are the key properties of 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea?
1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea has a molecular weight of 240.42 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[3-(3-methylcyclohexyl)prop-2-enyl]thiourea is sourced from PubChem (CID 165175604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).