1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea

C11H23N3S — CID 105413205

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C11H23N3S/c1-4-8-12-10(15)13-9-11(14(2)3)6-5-7-11/h4-9H2,1-3H3,(H2,12,13,15)
InChIKeyVAYSIVQZAZEWLN-UHFFFAOYSA-N
MW229.39 g/mol
LogP1.34
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea

1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea (PubChem CID 105413205) has the molecular formula C11H23N3S and a molecular weight of 229.39 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea
PubChem CID105413205
Molecular FormulaC11H23N3S
Molecular Weight229.39 g/mol
Exact Mass229.16
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea
SMILESCCCNC(=S)NCC1(N(C)C)CCC1
InChIInChI=1S/C11H23N3S/c1-4-8-12-10(15)13-9-11(14(2)3)6-5-7-11/h4-9H2,1-3H3,(H2,12,13,15)
InChIKeyVAYSIVQZAZEWLN-UHFFFAOYSA-N
XLogP1.34
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.39
LogP ≤ 51.34
H-Bond Donors ≤ 52
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-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea (CID 105413205) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea is CCCNC(=S)NCC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea?
The InChIKey is VAYSIVQZAZEWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3S/c1-4-8-12-10(15)13-9-11(14(2)3)6-5-7-11/h4-9H2,1-3H3,(H2,12,13,15).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea has a molecular weight of 229.39 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propylthiourea is sourced from PubChem (CID 105413205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).