1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea

C11H25N3OS — CID 115570241

IUPAC1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCC(C)(C)CN(C)C
InChIInChI=1S/C11H25N3OS/c1-11(2,9-14(3)4)8-13-10(16)12-6-7-15-5/h6-9H2,1-5H3,(H2,12,13,16)
InChIKeyGIFSIBZNOYTYJB-UHFFFAOYSA-N
MW247.41 g/mol
LogP0.68
Rot. Bonds7

About 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea

1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea (PubChem CID 115570241) has the molecular formula C11H25N3OS and a molecular weight of 247.41 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea
PubChem CID115570241
Molecular FormulaC11H25N3OS
Molecular Weight247.41 g/mol
Exact Mass247.17
IUPAC Name1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea
SMILESCOCCNC(=S)NCC(C)(C)CN(C)C
InChIInChI=1S/C11H25N3OS/c1-11(2,9-14(3)4)8-13-10(16)12-6-7-15-5/h6-9H2,1-5H3,(H2,12,13,16)
InChIKeyGIFSIBZNOYTYJB-UHFFFAOYSA-N
XLogP0.68
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.41
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(dimethylamino)-3-(2-methoxyethyl)thiourea
CID 115570440
1-cyclopropyl-3-[3-(dimethylamino)-2,2-dimethylpropyl]thiourea
CID 86811847
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-methoxyphenyl)thiourea
CID 2423857
2-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-4-methoxybutanamide
CID 62474428
tert-butyl N-[3-(dimethylamino)-2,2-dimethylpropyl]carbamate
CID 65142819
N,N,2,2-tetramethyl-N'-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,3-diamine
CID 112588610
1-(2-methoxyethyl)-3-(3-methylbutyl)thiourea
CID 19652189
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(4-ethylphenyl)thiourea
CID 8615986
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
1-(2-methoxyethyl)-3-prop-2-enylthiourea
CID 19652099
1-[(2-hydroxy-2-methylpropanoyl)amino]-3-(2-methoxyethyl)thiourea
CID 2205112
1-(2-cyclopentylethyl)-3-(2-methoxyethyl)thiourea
CID 115578349

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea (CID 115570241) is 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea is COCCNC(=S)NCC(C)(C)CN(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea?
The InChIKey is GIFSIBZNOYTYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3OS/c1-11(2,9-14(3)4)8-13-10(16)12-6-7-15-5/h6-9H2,1-5H3,(H2,12,13,16).
What are the key properties of 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea?
1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea has a molecular weight of 247.41 g/mol, XLogP of 0.68, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-2,2-dimethylpropyl]-3-(2-methoxyethyl)thiourea is sourced from PubChem (CID 115570241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).