1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea

C14H31N3OS — CID 102992244

IUPAC1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
SMILESCCN(CC)CCCN(CC)C(=S)NCCCOC
InChIInChI=1S/C14H31N3OS/c1-5-16(6-2)11-9-12-17(7-3)14(19)15-10-8-13-18-4/h5-13H2,1-4H3,(H,15,19)
InChIKeyRFYHWQHAOSDLSW-UHFFFAOYSA-N
MW289.49 g/mol
LogP1.95
Rot. Bonds11

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

1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea (PubChem CID 102992244) has the molecular formula C14H31N3OS and a molecular weight of 289.49 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
PubChem CID102992244
Molecular FormulaC14H31N3OS
Molecular Weight289.49 g/mol
Exact Mass289.22
IUPAC Name1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea
SMILESCCN(CC)CCCN(CC)C(=S)NCCCOC
InChIInChI=1S/C14H31N3OS/c1-5-16(6-2)11-9-12-17(7-3)14(19)15-10-8-13-18-4/h5-13H2,1-4H3,(H,15,19)
InChIKeyRFYHWQHAOSDLSW-UHFFFAOYSA-N
XLogP1.95
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.49
LogP ≤ 51.95
H-Bond Donors ≤ 51
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-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea
CID 102992241
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
1-(2-methoxyethyl)-3-(3-methoxypropyl)-1-(2-methylpropyl)thiourea
CID 115579212
1-[2-[ethyl(propyl)amino]ethyl]-3-(3-methoxypropyl)thiourea
CID 103721496
1-[3-(dimethylamino)propyl]-3-(3-methoxypropyl)-1-methylthiourea
CID 116508676
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
3-(3-methoxypropyl)-1-methyl-1-pentylthiourea
CID 116507373
1-[2-(diethylamino)ethyl]-3-(3-methoxypropyl)-2-methylguanidine
CID 110974949
3-butyl-1-(3-methoxypropyl)-1-methylthiourea
CID 115595156
3-(3-methoxypropyl)-1-methyl-1-(2-methylbutyl)thiourea
CID 115620797
1-ethyl-3-(2-methoxyethyl)-1-(2-methylbutyl)thiourea
CID 115674479

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea?
The IUPAC name of 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea (CID 102992244) is 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea is CCN(CC)CCCN(CC)C(=S)NCCCOC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea?
The InChIKey is RFYHWQHAOSDLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3OS/c1-5-16(6-2)11-9-12-17(7-3)14(19)15-10-8-13-18-4/h5-13H2,1-4H3,(H,15,19).
What are the key properties of 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea?
1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea has a molecular weight of 289.49 g/mol, XLogP of 1.95, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-1-ethyl-3-(3-methoxypropyl)thiourea is sourced from PubChem (CID 102992244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).