1-amino-3-(6-aminohexyl)thiourea

C7H18N4S — CID 55281362

IUPAC1-amino-3-(6-aminohexyl)thiourea
SMILESNCCCCCCNC(=S)NN
InChIInChI=1S/C7H18N4S/c8-5-3-1-2-4-6-10-7(12)11-9/h1-6,8-9H2,(H2,10,11,12)
InChIKeyZJRIJBTWVKYKOC-UHFFFAOYSA-N
MW190.32 g/mol
LogP-0.16
Rot. Bonds6

About 1-amino-3-(6-aminohexyl)thiourea

1-amino-3-(6-aminohexyl)thiourea (PubChem CID 55281362) has the molecular formula C7H18N4S and a molecular weight of 190.32 g/mol. Its IUPAC name is 1-amino-3-(6-aminohexyl)thiourea.

Molecular Properties

Compound Name1-amino-3-(6-aminohexyl)thiourea
PubChem CID55281362
Molecular FormulaC7H18N4S
Molecular Weight190.32 g/mol
Exact Mass190.13
IUPAC Name1-amino-3-(6-aminohexyl)thiourea
SMILESNCCCCCCNC(=S)NN
InChIInChI=1S/C7H18N4S/c8-5-3-1-2-4-6-10-7(12)11-9/h1-6,8-9H2,(H2,10,11,12)
InChIKeyZJRIJBTWVKYKOC-UHFFFAOYSA-N
XLogP-0.16
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

4-Cyclohexylthiosemicarbazide
CID 722813
N1-cyclododecylhydrazine-1-carbothioamide
CID 2730977
3-Amino-1-butylthiourea
CID 1810303
4-Octyl-3-thiosemicarbazide
CID 2760251
4-Hexyl-3-thiosemicarbazide
CID 2759283
N,N'-dibutylhydrazine-1,2-dicarbothioamide
CID 5386096
N-Hexadecylhydrazinecarbothioamide
CID 4439565
1-Amino-3-octadecylthiourea
CID 4032100
1-Amino-3-(5,5,5-trifluoropentyl)thiourea
CID 115520716
2-(Pentylcarbamothioyl)hydrazine-1-carboxamide
CID 3705847
N-butylhydrazine-1,2-dicarbothioamide
CID 12421602
3-Amino-1-cyclopentylthiourea
CID 2037202

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(6-aminohexyl)thiourea?
The IUPAC name of 1-amino-3-(6-aminohexyl)thiourea (CID 55281362) is 1-amino-3-(6-aminohexyl)thiourea.
What is the SMILES notation for 1-amino-3-(6-aminohexyl)thiourea?
The canonical SMILES for 1-amino-3-(6-aminohexyl)thiourea is NCCCCCCNC(=S)NN.
What is the InChIKey of 1-amino-3-(6-aminohexyl)thiourea?
The InChIKey is ZJRIJBTWVKYKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N4S/c8-5-3-1-2-4-6-10-7(12)11-9/h1-6,8-9H2,(H2,10,11,12).
What are the key properties of 1-amino-3-(6-aminohexyl)thiourea?
1-amino-3-(6-aminohexyl)thiourea has a molecular weight of 190.32 g/mol, XLogP of -0.16, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(6-aminohexyl)thiourea is sourced from PubChem (CID 55281362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).