1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea

C12H25N3S — CID 22220797

IUPAC1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea
SMILESCN(C)CCCN(C(N)=S)C1CCCCC1
InChIInChI=1S/C12H25N3S/c1-14(2)9-6-10-15(12(13)16)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H2,13,16)
InChIKeyLNKLWVZZBLAQKB-UHFFFAOYSA-N
MW243.42 g/mol
LogP1.82
Rot. Bonds5

About 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea

1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea (PubChem CID 22220797) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea.

Molecular Properties

Compound Name1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea
PubChem CID22220797
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea
SMILESCN(C)CCCN(C(N)=S)C1CCCCC1
InChIInChI=1S/C12H25N3S/c1-14(2)9-6-10-15(12(13)16)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H2,13,16)
InChIKeyLNKLWVZZBLAQKB-UHFFFAOYSA-N
XLogP1.82
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea?
The IUPAC name of 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea (CID 22220797) is 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea.
What is the SMILES notation for 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea?
The canonical SMILES for 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea is CN(C)CCCN(C(N)=S)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea?
The InChIKey is LNKLWVZZBLAQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-14(2)9-6-10-15(12(13)16)11-7-4-3-5-8-11/h11H,3-10H2,1-2H3,(H2,13,16).
What are the key properties of 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea?
1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea has a molecular weight of 243.42 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-[3-(dimethylamino)propyl]thiourea is sourced from PubChem (CID 22220797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).