1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea

C10H23N3S — CID 43384796

IUPAC1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea
SMILESCN(C)CCCNC(=S)NC(C)(C)C
InChIInChI=1S/C10H23N3S/c1-10(2,3)12-9(14)11-7-6-8-13(4)5/h6-8H2,1-5H3,(H2,11,12,14)
InChIKeyZYVQMBUCZSLKOG-UHFFFAOYSA-N
MW217.38 g/mol
LogP1.20
Rot. Bonds4

About 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea

1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea (PubChem CID 43384796) has the molecular formula C10H23N3S and a molecular weight of 217.38 g/mol. Its IUPAC name is 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea.

Molecular Properties

Compound Name1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea
PubChem CID43384796
Molecular FormulaC10H23N3S
Molecular Weight217.38 g/mol
Exact Mass217.16
IUPAC Name1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea
SMILESCN(C)CCCNC(=S)NC(C)(C)C
InChIInChI=1S/C10H23N3S/c1-10(2,3)12-9(14)11-7-6-8-13(4)5/h6-8H2,1-5H3,(H2,11,12,14)
InChIKeyZYVQMBUCZSLKOG-UHFFFAOYSA-N
XLogP1.20
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea?
The IUPAC name of 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea (CID 43384796) is 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea.
What is the SMILES notation for 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea?
The canonical SMILES for 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea is CN(C)CCCNC(=S)NC(C)(C)C.
What is the InChIKey of 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea?
The InChIKey is ZYVQMBUCZSLKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3S/c1-10(2,3)12-9(14)11-7-6-8-13(4)5/h6-8H2,1-5H3,(H2,11,12,14).
What are the key properties of 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea?
1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea has a molecular weight of 217.38 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[3-(dimethylamino)propyl]thiourea is sourced from PubChem (CID 43384796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).