1-amino-3-[2-(dipropylamino)ethyl]thiourea

C9H22N4S — CID 18341778

IUPAC1-amino-3-[2-(dipropylamino)ethyl]thiourea
SMILESCCCN(CCC)CCNC(=S)NN
InChIInChI=1S/C9H22N4S/c1-3-6-13(7-4-2)8-5-11-9(14)12-10/h3-8,10H2,1-2H3,(H2,11,12,14)
InChIKeyRYBZYIIQYMCLQA-UHFFFAOYSA-N
MW218.37 g/mol
LogP0.45
Rot. Bonds7

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

1-amino-3-[2-(dipropylamino)ethyl]thiourea (PubChem CID 18341778) has the molecular formula C9H22N4S and a molecular weight of 218.37 g/mol. Its IUPAC name is 1-amino-3-[2-(dipropylamino)ethyl]thiourea.

Molecular Properties

Compound Name1-amino-3-[2-(dipropylamino)ethyl]thiourea
PubChem CID18341778
Molecular FormulaC9H22N4S
Molecular Weight218.37 g/mol
Exact Mass218.16
IUPAC Name1-amino-3-[2-(dipropylamino)ethyl]thiourea
SMILESCCCN(CCC)CCNC(=S)NN
InChIInChI=1S/C9H22N4S/c1-3-6-13(7-4-2)8-5-11-9(14)12-10/h3-8,10H2,1-2H3,(H2,11,12,14)
InChIKeyRYBZYIIQYMCLQA-UHFFFAOYSA-N
XLogP0.45
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.37
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[2-(dipropylamino)ethyl]thiourea?
The IUPAC name of 1-amino-3-[2-(dipropylamino)ethyl]thiourea (CID 18341778) is 1-amino-3-[2-(dipropylamino)ethyl]thiourea.
What is the SMILES notation for 1-amino-3-[2-(dipropylamino)ethyl]thiourea?
The canonical SMILES for 1-amino-3-[2-(dipropylamino)ethyl]thiourea is CCCN(CCC)CCNC(=S)NN.
What is the InChIKey of 1-amino-3-[2-(dipropylamino)ethyl]thiourea?
The InChIKey is RYBZYIIQYMCLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4S/c1-3-6-13(7-4-2)8-5-11-9(14)12-10/h3-8,10H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-amino-3-[2-(dipropylamino)ethyl]thiourea?
1-amino-3-[2-(dipropylamino)ethyl]thiourea has a molecular weight of 218.37 g/mol, XLogP of 0.45, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[2-(dipropylamino)ethyl]thiourea is sourced from PubChem (CID 18341778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).