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

C12H25N3S — CID 105413556

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea
SMILESCCCNC(=S)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H25N3S/c1-5-9-13-11(16)15(4)10-12(14(2)3)7-6-8-12/h5-10H2,1-4H3,(H,13,16)
InChIKeyAHQIZCGPOYWSOE-UHFFFAOYSA-N
MW243.42 g/mol
LogP1.69
Rot. Bonds5

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

1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea (PubChem CID 105413556) has the molecular formula C12H25N3S and a molecular weight of 243.42 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea
PubChem CID105413556
Molecular FormulaC12H25N3S
Molecular Weight243.42 g/mol
Exact Mass243.18
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea
SMILESCCCNC(=S)N(C)CC1(N(C)C)CCC1
InChIInChI=1S/C12H25N3S/c1-5-9-13-11(16)15(4)10-12(14(2)3)7-6-8-12/h5-10H2,1-4H3,(H,13,16)
InChIKeyAHQIZCGPOYWSOE-UHFFFAOYSA-N
XLogP1.69
TPSA18.51 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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Tert-butyl-3-cyclobutylthiourea
CID 59104329
1-Tert-butyl-3-(2-piperidin-1-ylethyl)thiourea
CID 60081152
1-[(2S)-2-amino-3-methylpentyl]-3-ethylthiourea
CID 87560598
3-[1,3-Bis(methylamino)-2-(methylaminomethyl)propan-2-yl]-1-methyl-1-pentylthiourea
CID 163987191
3-Tert-butyl-1-methyl-1-pentylthiourea
CID 10242445
1-Tert-butyl-3-hexylthiourea
CID 43384730
[1-(Dimethylamino)-4-methylpentan-2-yl]thiourea
CID 61514541
1-Tert-butyl-3-pentylthiourea
CID 85952054
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-ethylthiourea
CID 105413203
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-(3-ethoxypropyl)thiourea
CID 105413204
1-[[1-(Dimethylamino)cyclobutyl]methyl]-3-propylthiourea
CID 105413205
1-Cyclopropyl-3-[[1-(dimethylamino)cyclobutyl]methyl]thiourea
CID 105413206

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea (CID 105413556) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea is CCCNC(=S)N(C)CC1(N(C)C)CCC1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea?
The InChIKey is AHQIZCGPOYWSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3S/c1-5-9-13-11(16)15(4)10-12(14(2)3)7-6-8-12/h5-10H2,1-4H3,(H,13,16).
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea has a molecular weight of 243.42 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-propylthiourea is sourced from PubChem (CID 105413556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).