N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine

C28H66N6O6Si2 — CID 159024992

IUPACN,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine
SMILESCC(C)N=C=NC(C)C.CNCCC[Si](OC)(OC)OC.CO[Si](CCCN(C)/C(=N/C(C)C)NC(C)C)(OC)OC
InChIInChI=1S/C14H33N3O3Si.C7H14N2.C7H19NO3Si/c1-12(2)15-14(16-13(3)4)17(5)10-9-11-21(18-6,19-7)20-8;1-6(2)8-5-9-7(3)4;1-8-6-5-7-12(9-2,10-3)11-4/h12-13H,9-11H2,1-8H3,(H,15,16);6-7H,1-4H3;8H,5-7H2,1-4H3
InChIKeyJUECLXVHOLUSQT-UHFFFAOYSA-N
MW639.04 g/mol
LogP4.40
Rot. Bonds18

About N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine

N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine (PubChem CID 159024992) has the molecular formula C28H66N6O6Si2 and a molecular weight of 639.04 g/mol. Its IUPAC name is N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound NameN,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine
PubChem CID159024992
Molecular FormulaC28H66N6O6Si2
Molecular Weight639.04 g/mol
Exact Mass638.46
IUPAC NameN,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine
SMILESCC(C)N=C=NC(C)C.CNCCC[Si](OC)(OC)OC.CO[Si](CCCN(C)/C(=N/C(C)C)NC(C)C)(OC)OC
InChIInChI=1S/C14H33N3O3Si.C7H14N2.C7H19NO3Si/c1-12(2)15-14(16-13(3)4)17(5)10-9-11-21(18-6,19-7)20-8;1-6(2)8-5-9-7(3)4;1-8-6-5-7-12(9-2,10-3)11-4/h12-13H,9-11H2,1-8H3,(H,15,16);6-7H,1-4H3;8H,5-7H2,1-4H3
InChIKeyJUECLXVHOLUSQT-UHFFFAOYSA-N
XLogP4.40
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds18
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500639.04
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine?
The IUPAC name of N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine (CID 159024992) is N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine?
The canonical SMILES for N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine is CC(C)N=C=NC(C)C.CNCCC[Si](OC)(OC)OC.CO[Si](CCCN(C)/C(=N/C(C)C)NC(C)C)(OC)OC.
What is the InChIKey of N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine?
The InChIKey is JUECLXVHOLUSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N3O3Si.C7H14N2.C7H19NO3Si/c1-12(2)15-14(16-13(3)4)17(5)10-9-11-21(18-6,19-7)20-8;1-6(2)8-5-9-7(3)4;1-8-6-5-7-12(9-2,10-3)11-4/h12-13H,9-11H2,1-8H3,(H,15,16);6-7H,1-4H3;8H,5-7H2,1-4H3.
What are the key properties of N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine?
N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine has a molecular weight of 639.04 g/mol, XLogP of 4.40, 18 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-di(propan-2-yl)methanediimine;1-methyl-2,3-di(propan-2-yl)-1-(3-trimethoxysilylpropyl)guanidine;N-methyl-3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 159024992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).