1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione

C15H30N4S2 — CID 150965399

IUPAC1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione
SMILESCCCCCCCCCCCCC1NC(=S)NC(=S)N1N
InChIInChI=1S/C15H30N4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(20)18-15(21)19(13)16/h13H,2-12,16H2,1H3,(H2,17,18,20,21)
InChIKeyLMYVRPTUADMUGF-UHFFFAOYSA-N
MW330.57 g/mol
LogP3.56
Rot. Bonds11

About 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione

1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione (PubChem CID 150965399) has the molecular formula C15H30N4S2 and a molecular weight of 330.57 g/mol. Its IUPAC name is 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione.

Molecular Properties

Compound Name1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione
PubChem CID150965399
Molecular FormulaC15H30N4S2
Molecular Weight330.57 g/mol
Exact Mass330.19
IUPAC Name1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione
SMILESCCCCCCCCCCCCC1NC(=S)NC(=S)N1N
InChIInChI=1S/C15H30N4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(20)18-15(21)19(13)16/h13H,2-12,16H2,1H3,(H2,17,18,20,21)
InChIKeyLMYVRPTUADMUGF-UHFFFAOYSA-N
XLogP3.56
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.57
LogP ≤ 53.56
H-Bond Donors ≤ 53
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': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782
3-(4-aminobutyl)-6-pentylpiperazine-2,5-dione
CID 147838598
4-pentylpiperidin-1-amine
CID 69326723
4-hexyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylic acid
CID 67652768
4,7-didodecyl-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 141093259
3-undecylthiirane-2-thione
CID 174998073
5-heptyl-1-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3512324
5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one
CID 88519630
3-heptyl-2-methyloxiran-2-amine
CID 74220849
2'-heptylspiro[5,6,7,7a-tetrahydro-2H-pyrrolo[1,2-c]imidazole-3,1'-cyclopentane]-1-one
CID 166061927
7-hexadecyl-2-azatricyclo[6.2.2.23,6]tetradeca-1(10),3(14),4,6(13),8,11-hexaene
CID 141469910
1-butyl-2-hexyl-1,3-diazinane
CID 163782424

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione?
The IUPAC name of 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione (CID 150965399) is 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione.
What is the SMILES notation for 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione?
The canonical SMILES for 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione is CCCCCCCCCCCCC1NC(=S)NC(=S)N1N.
What is the InChIKey of 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione?
The InChIKey is LMYVRPTUADMUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4S2/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-14(20)18-15(21)19(13)16/h13H,2-12,16H2,1H3,(H2,17,18,20,21).
What are the key properties of 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione?
1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione has a molecular weight of 330.57 g/mol, XLogP of 3.56, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-dodecyl-1,3,5-triazinane-2,4-dithione is sourced from PubChem (CID 150965399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).