1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea

C13H29N3OS — CID 102992241

IUPAC1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea
SMILESCCN(CC)CCCN(CC)C(=S)NCCOC
InChIInChI=1S/C13H29N3OS/c1-5-15(6-2)10-8-11-16(7-3)13(18)14-9-12-17-4/h5-12H2,1-4H3,(H,14,18)
InChIKeyPJWDTTQWDKFGIG-UHFFFAOYSA-N
MW275.46 g/mol
LogP1.56
Rot. Bonds10

About 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea

1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea (PubChem CID 102992241) has the molecular formula C13H29N3OS and a molecular weight of 275.46 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea
PubChem CID102992241
Molecular FormulaC13H29N3OS
Molecular Weight275.46 g/mol
Exact Mass275.20
IUPAC Name1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea
SMILESCCN(CC)CCCN(CC)C(=S)NCCOC
InChIInChI=1S/C13H29N3OS/c1-5-15(6-2)10-8-11-16(7-3)13(18)14-9-12-17-4/h5-12H2,1-4H3,(H,14,18)
InChIKeyPJWDTTQWDKFGIG-UHFFFAOYSA-N
XLogP1.56
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 51.56
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-(3-methoxypropyl)thiourea
CID 102992244
1-butyl-1-ethyl-3-(3-methoxypropyl)thiourea
CID 115570268
1-ethyl-3-(2-methoxyethyl)-1-(2-methylbutyl)thiourea
CID 115674479
1-(2-methoxyethyl)-1,3-bis(3-methoxypropyl)thiourea
CID 115587999
1-[3-(diethylamino)propyl]-1-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-3-(2-methoxyethyl)thiourea
CID 3185902
2-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)guanidine
CID 110941028
N,N-diethyl-3-methoxypropan-1-amine;ethane
CID 142226095
1-ethyl-3-(2-methoxyethyl)-1-(thiophen-2-ylmethyl)thiourea
CID 115571943
1-(2-ethoxyethyl)-1-ethyl-3-propylthiourea
CID 115618052
1,1-di(butan-2-yl)-3-(2-methoxyethyl)thiourea
CID 19653498
2-[ethyl(3-hydroxypropyl)amino]-N-(2-methoxyethyl)acetamide
CID 115666547
3-(2-methoxyethyl)-1-methyl-1-pentan-3-ylthiourea
CID 115578961

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea?
The IUPAC name of 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea (CID 102992241) is 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea?
The canonical SMILES for 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea is CCN(CC)CCCN(CC)C(=S)NCCOC.
What is the InChIKey of 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea?
The InChIKey is PJWDTTQWDKFGIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3OS/c1-5-15(6-2)10-8-11-16(7-3)13(18)14-9-12-17-4/h5-12H2,1-4H3,(H,14,18).
What are the key properties of 1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea?
1-[3-(diethylamino)propyl]-1-ethyl-3-(2-methoxyethyl)thiourea has a molecular weight of 275.46 g/mol, XLogP of 1.56, 10 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-(2-methoxyethyl)thiourea is sourced from PubChem (CID 102992241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).