1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine

C9H18N3O3-3 — CID 163645688

IUPAC1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine
SMILESCN([O-])C1CC(N(C)[O-])CC(N(C)[O-])C1
InChIInChI=1S/C9H18N3O3/c1-10(13)7-4-8(11(2)14)6-9(5-7)12(3)15/h7-9H,4-6H2,1-3H3/q-3
InChIKeyCAZDDLYMSHTNRY-UHFFFAOYSA-N
MW216.26 g/mol
LogP0.56
Rot. Bonds3

About 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine

1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine (PubChem CID 163645688) has the molecular formula C9H18N3O3-3 and a molecular weight of 216.26 g/mol. Its IUPAC name is 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine.

Molecular Properties

Compound Name1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine
PubChem CID163645688
Molecular FormulaC9H18N3O3-3
Molecular Weight216.26 g/mol
Exact Mass216.14
IUPAC Name1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine
SMILESCN([O-])C1CC(N(C)[O-])CC(N(C)[O-])C1
InChIInChI=1S/C9H18N3O3/c1-10(13)7-4-8(11(2)14)6-9(5-7)12(3)15/h7-9H,4-6H2,1-3H3/q-3
InChIKeyCAZDDLYMSHTNRY-UHFFFAOYSA-N
XLogP0.56
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.26
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-N-methyl-N-oxidocyclobutan-1-amine
CID 163648562
1-N,3-N-dimethyl-1-N,3-N-dioxidocyclohex-3-ene-1,3-diamine
CID 163532969
trans-(1S,3S)-1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-diamine
CID 101240385
N-oxido-N-phosphanylcyclopropanamine
CID 163809750
7-N,8-N-dimethyl-7-N,8-N-dioxidobicyclo[4.2.0]octane-7,8-diamine
CID 163482879
ethane;N,N,3-trimethylcyclopentan-1-amine
CID 91598782
cis-(1R,3S)-N,N,3-trimethylcyclohexan-1-amine
CID 142193437
ethane;N,N,3-trimethylcyclobutan-1-amine
CID 170739396
N-[(2-ethyl-2-adamantyl)oxy]-N-oxidomethanamine
CID 163518738
3-N-tert-butyl-1-N,1-N-dimethylcyclobutane-1,3-diamine
CID 122629719
(2R,4aR,6R,8aR)-2-N,2-N,6-N,6-N-tetramethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2,6-diamine
CID 125485118
2-N,3-N-dimethyl-2-N,3-N-dioxidobicyclo[2.2.2]octa-1(6),4,7-triene-2,3-diamine
CID 163519179

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine?
The IUPAC name of 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine (CID 163645688) is 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine.
What is the SMILES notation for 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine?
The canonical SMILES for 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine is CN([O-])C1CC(N(C)[O-])CC(N(C)[O-])C1.
What is the InChIKey of 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine?
The InChIKey is CAZDDLYMSHTNRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3O3/c1-10(13)7-4-8(11(2)14)6-9(5-7)12(3)15/h7-9H,4-6H2,1-3H3/q-3.
What are the key properties of 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine?
1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine has a molecular weight of 216.26 g/mol, XLogP of 0.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,5-N-trimethyl-1-N,3-N,5-N-trioxidocyclohexane-1,3,5-triamine is sourced from PubChem (CID 163645688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).