N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine

C23H52N2O5Si2 — CID 160784972

IUPACN-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine
SMILESCO[SiH](CCCNC1CCCCC1)OC.CO[Si](CCCNC1CCCCC1)(OC)OC
InChIInChI=1S/C12H27NO3Si.C11H25NO2Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12;1-13-15(14-2)10-6-9-12-11-7-4-3-5-8-11/h12-13H,4-11H2,1-3H3;11-12,15H,3-10H2,1-2H3
InChIKeySBBVSHYYMOXBFK-UHFFFAOYSA-N
MW492.85 g/mol
LogP3.99
Rot. Bonds15

About N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine

N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine (PubChem CID 160784972) has the molecular formula C23H52N2O5Si2 and a molecular weight of 492.85 g/mol. Its IUPAC name is N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine
PubChem CID160784972
Molecular FormulaC23H52N2O5Si2
Molecular Weight492.85 g/mol
Exact Mass492.34
IUPAC NameN-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine
SMILESCO[SiH](CCCNC1CCCCC1)OC.CO[Si](CCCNC1CCCCC1)(OC)OC
InChIInChI=1S/C12H27NO3Si.C11H25NO2Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12;1-13-15(14-2)10-6-9-12-11-7-4-3-5-8-11/h12-13H,4-11H2,1-3H3;11-12,15H,3-10H2,1-2H3
InChIKeySBBVSHYYMOXBFK-UHFFFAOYSA-N
XLogP3.99
TPSA70.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.85
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[diethoxy(methoxy)silyl]propyl]cyclohexanamine
CID 66781682
ethenyl-tris(2-methoxyethoxy)silane;N-(3-trimethoxysilylpropyl)cyclohexanamine
CID 172850782
4-N-[2-(propan-2-ylamino)ethyl]-1-N-(3-trimethoxysilylpropyl)cyclohexane-1,4-diamine
CID 23596606
N-(3-tripropoxysilylpropyl)cyclohexanamine
CID 139879994
N-(5-methoxypentyl)cyclooctanamine
CID 115714847
N,N'-dicyclohexyloctane-1,8-diamine;dihydrochloride
CID 3029604
N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine
CID 70530574
N-(2-methoxyethyl)cycloheptanamine
CID 22484521
N'-cycloheptylbutane-1,4-diamine
CID 60894157
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-dodecylcyclohexanamine
CID 3679395
N'-cycloundecylethane-1,2-diamine
CID 166845791

Frequently Asked Questions

What is the IUPAC name of N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine?
The IUPAC name of N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine (CID 160784972) is N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine.
What is the SMILES notation for N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine?
The canonical SMILES for N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine is CO[SiH](CCCNC1CCCCC1)OC.CO[Si](CCCNC1CCCCC1)(OC)OC.
What is the InChIKey of N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine?
The InChIKey is SBBVSHYYMOXBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si.C11H25NO2Si/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12;1-13-15(14-2)10-6-9-12-11-7-4-3-5-8-11/h12-13H,4-11H2,1-3H3;11-12,15H,3-10H2,1-2H3.
What are the key properties of N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine?
N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine has a molecular weight of 492.85 g/mol, XLogP of 3.99, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine is sourced from PubChem (CID 160784972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).