3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine

C12H26N2O2Si — CID 67980381

IUPAC3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine
SMILESCCC/N=C/CC[Si]1(C)OCCN(C)CCO1
InChIInChI=1S/C12H26N2O2Si/c1-4-6-13-7-5-12-17(3)15-10-8-14(2)9-11-16-17/h7H,4-6,8-12H2,1-3H3/b13-7+
InChIKeyIAJJJGMXOQHFTC-NTUHNPAUSA-N
MW258.44 g/mol
LogP1.91
Rot. Bonds5

About 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine

3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine (PubChem CID 67980381) has the molecular formula C12H26N2O2Si and a molecular weight of 258.44 g/mol. Its IUPAC name is 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine.

Molecular Properties

Compound Name3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine
PubChem CID67980381
Molecular FormulaC12H26N2O2Si
Molecular Weight258.44 g/mol
Exact Mass258.18
IUPAC Name3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine
SMILESCCC/N=C/CC[Si]1(C)OCCN(C)CCO1
InChIInChI=1S/C12H26N2O2Si/c1-4-6-13-7-5-12-17(3)15-10-8-14(2)9-11-16-17/h7H,4-6,8-12H2,1-3H3/b13-7+
InChIKeyIAJJJGMXOQHFTC-NTUHNPAUSA-N
XLogP1.91
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.44
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N,N-bis(trimethylsilyl)propan-1-amine
CID 67979904
2,2-diethoxy-6-methyl-1,6,2-oxazasilocane
CID 140723407
butane;bis(4-methylmorpholine)
CID 159010392
2-ethoxy-2,7-dimethyl-1,7,2-oxazasilonane
CID 140723491
2,2-diethoxy-8-methyl-1,8,2-oxazasilecane
CID 140723416
butane;1-methylpyrrolidine
CID 143371006
N-tetradecyltridecan-1-imine
CID 175147598
N-cyclopentyl-2,6-dimethyl-N-trimethylsilyl-1,3,6,2-dioxazasilocan-2-amine
CID 67980129
5-(butylideneamino)pentan-1-amine
CID 58308982
ethane;4-methylmorpholine
CID 54432133
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
N-fluoroethanamine;4-methylmorpholine
CID 142858487

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine?
The IUPAC name of 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine (CID 67980381) is 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine.
What is the SMILES notation for 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine?
The canonical SMILES for 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine is CCC/N=C/CC[Si]1(C)OCCN(C)CCO1.
What is the InChIKey of 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine?
The InChIKey is IAJJJGMXOQHFTC-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H26N2O2Si/c1-4-6-13-7-5-12-17(3)15-10-8-14(2)9-11-16-17/h7H,4-6,8-12H2,1-3H3/b13-7+.
What are the key properties of 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine?
3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine has a molecular weight of 258.44 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dimethyl-1,3,6,2-dioxazasilocan-2-yl)-N-propylpropan-1-imine is sourced from PubChem (CID 67980381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).