4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine

C10H22N6 — CID 163513706

IUPAC4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine
SMILESCCCC/N=C1\NNN/C(=N\CCCC)N1
InChIInChI=1S/C10H22N6/c1-3-5-7-11-9-13-10(15-16-14-9)12-8-6-4-2/h16H,3-8H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyYIVKGFDHEJERSD-UHFFFAOYSA-N
MW226.33 g/mol
LogP0.50
Rot. Bonds6

About 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine

4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine (PubChem CID 163513706) has the molecular formula C10H22N6 and a molecular weight of 226.33 g/mol. Its IUPAC name is 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine.

Molecular Properties

Compound Name4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine
PubChem CID163513706
Molecular FormulaC10H22N6
Molecular Weight226.33 g/mol
Exact Mass226.19
IUPAC Name4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine
SMILESCCCC/N=C1\NNN/C(=N\CCCC)N1
InChIInChI=1S/C10H22N6/c1-3-5-7-11-9-13-10(15-16-14-9)12-8-6-4-2/h16H,3-8H2,1-2H3,(H3,11,12,13,14,15)
InChIKeyYIVKGFDHEJERSD-UHFFFAOYSA-N
XLogP0.50
TPSA72.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 50.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-N-iodo-6-N-(6-iodohexyl)-1,2,3,5-tetrazinane-4,6-diimine
CID 163591995
N-decyl-3,4-dihydro-1H-[1,2,4]triazino[6,5-c]quinolin-2-imine
CID 135604628
6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine
CID 135931710
2-butylimino-3,5-dihydropurin-6-one
CID 135815421
2-pentylimino-1,3-oxazolidin-4-one
CID 136954888
3,3,5-trimethyl-N-octadecyl-1H-pyrrol-2-imine
CID 154087421
CID 5494236
CID 5494236
3-hexylimino-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-6-amine
CID 141026574
N-butyl-6,8-dichloro-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 136924310
N-butyl-6-chloro-1,1-dioxo-4H-thieno[3,2-e][1,2,4]thiadiazin-3-imine
CID 135482125
N,7-dibutyl-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-3-imine
CID 136924276
4-octadecylimino-1H-diazete-3-carboxylic acid
CID 162156753

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine?
The IUPAC name of 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine (CID 163513706) is 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine.
What is the SMILES notation for 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine?
The canonical SMILES for 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine is CCCC/N=C1\NNN/C(=N\CCCC)N1.
What is the InChIKey of 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine?
The InChIKey is YIVKGFDHEJERSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N6/c1-3-5-7-11-9-13-10(15-16-14-9)12-8-6-4-2/h16H,3-8H2,1-2H3,(H3,11,12,13,14,15).
What are the key properties of 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine?
4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine has a molecular weight of 226.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-dibutyl-1,2,3,5-tetrazinane-4,6-diimine is sourced from PubChem (CID 163513706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).