1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea

C8H19N3OS — CID 174282056

IUPAC1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea
SMILESCNCCCOCCNC(=S)NC
InChIInChI=1S/C8H19N3OS/c1-9-4-3-6-12-7-5-11-8(13)10-2/h9H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyKGETZXBYTXPRKE-UHFFFAOYSA-N
MW205.33 g/mol
LogP-0.29
Rot. Bonds7

About 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea

1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea (PubChem CID 174282056) has the molecular formula C8H19N3OS and a molecular weight of 205.33 g/mol. Its IUPAC name is 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea
PubChem CID174282056
Molecular FormulaC8H19N3OS
Molecular Weight205.33 g/mol
Exact Mass205.12
IUPAC Name1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea
SMILESCNCCCOCCNC(=S)NC
InChIInChI=1S/C8H19N3OS/c1-9-4-3-6-12-7-5-11-8(13)10-2/h9H,3-7H2,1-2H3,(H2,10,11,13)
InChIKeyKGETZXBYTXPRKE-UHFFFAOYSA-N
XLogP-0.29
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.33
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
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-(2-butoxyethyl)-3-propylthiourea
CID 115595496
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
2-[2-[4-[2-[2-(methylamino)ethoxy]ethoxy]butoxy]ethoxy]ethanol
CID 134581965
1-(3-hydroxypropyl)-3-methylthiourea
CID 11116216
N-methyl-3-(3,3,3-trifluoropropoxy)propan-1-amine
CID 82956013
N-methyl-3-propoxypropan-1-amine;molecular hydrogen
CID 156802558
1-ethyl-3-[3-[3-(methylamino)propoxy]propyl]urea
CID 22381303
ethane;2-methyl-N-[3-[3-(methylamino)propoxy]propyl]propanamide
CID 156795155
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
N-(2-butoxyethyl)-2-(methylamino)acetamide
CID 61175686
2-[2-(2-butoxyethoxy)ethoxy]-N-methylethanamine
CID 104561249
N-methyl-2-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 146243407

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea?
The IUPAC name of 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea (CID 174282056) is 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea is CNCCCOCCNC(=S)NC.
What is the InChIKey of 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea?
The InChIKey is KGETZXBYTXPRKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N3OS/c1-9-4-3-6-12-7-5-11-8(13)10-2/h9H,3-7H2,1-2H3,(H2,10,11,13).
What are the key properties of 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea?
1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea has a molecular weight of 205.33 g/mol, XLogP of -0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[3-(methylamino)propoxy]ethyl]thiourea is sourced from PubChem (CID 174282056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).