1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea

C12H27N3OS — CID 103721496

IUPAC1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
SMILESCCCN(CC)CCNC(=S)NCCCOC
InChIInChI=1S/C12H27N3OS/c1-4-9-15(5-2)10-8-14-12(17)13-7-6-11-16-3/h4-11H2,1-3H3,(H2,13,14,17)
InChIKeyGYWWZBAGTURLBD-UHFFFAOYSA-N
MW261.43 g/mol
LogP1.22
Rot. Bonds10

About 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea

1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea (PubChem CID 103721496) has the molecular formula C12H27N3OS and a molecular weight of 261.43 g/mol. Its IUPAC name is 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
PubChem CID103721496
Molecular FormulaC12H27N3OS
Molecular Weight261.43 g/mol
Exact Mass261.19
IUPAC Name1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
SMILESCCCN(CC)CCNC(=S)NCCCOC
InChIInChI=1S/C12H27N3OS/c1-4-9-15(5-2)10-8-14-12(17)13-7-6-11-16-3/h4-11H2,1-3H3,(H2,13,14,17)
InChIKeyGYWWZBAGTURLBD-UHFFFAOYSA-N
XLogP1.22
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.43
LogP ≤ 51.22
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-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974949
1-(2-butoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115595506
1-(2-ethoxyethyl)-3-(3-methoxypropyl)thiourea
CID 115583597
1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
CID 102992244
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
1-(2-methoxyethyl)-3-nonylthiourea
CID 19651136
N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 59535628
ethane;N-ethyl-N-(2-methoxyethyl)propan-1-amine
CID 143133671
2-(3-methoxypropylcarbamothioylamino)acetamide
CID 115605893
1-(2,2-difluoroethyl)-3-(3-methoxypropyl)thiourea
CID 115667334
1-(3-methoxypropyl)-3-(2-methylbutan-2-yl)thiourea
CID 19652817
1-(3-ethoxypropyl)-3-[2-[ethyl(methyl)amino]ethyl]thiourea
CID 115595164

Frequently Asked Questions

What is the IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea (CID 103721496) is 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea is CCCN(CC)CCNC(=S)NCCCOC.
What is the InChIKey of 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea?
The InChIKey is GYWWZBAGTURLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3OS/c1-4-9-15(5-2)10-8-14-12(17)13-7-6-11-16-3/h4-11H2,1-3H3,(H2,13,14,17).
What are the key properties of 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea?
1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea has a molecular weight of 261.43 g/mol, XLogP of 1.22, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 103721496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).