N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine

C12H27NO3Si — CID 70530574

IUPACN-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine
SMILESCCC[Si](OC)(OC)OCNC1CCCCC1
InChIInChI=1S/C12H27NO3Si/c1-4-10-17(14-2,15-3)16-11-13-12-8-6-5-7-9-12/h12-13H,4-11H2,1-3H3
InChIKeyWOZQIGJVWVWNKQ-UHFFFAOYSA-N
MW261.44 g/mol
LogP2.52
Rot. Bonds8

About N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine

N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine (PubChem CID 70530574) has the molecular formula C12H27NO3Si and a molecular weight of 261.44 g/mol. Its IUPAC name is N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine.

Molecular Properties

Compound NameN-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine
PubChem CID70530574
Molecular FormulaC12H27NO3Si
Molecular Weight261.44 g/mol
Exact Mass261.18
IUPAC NameN-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine
SMILESCCC[Si](OC)(OC)OCNC1CCCCC1
InChIInChI=1S/C12H27NO3Si/c1-4-10-17(14-2,15-3)16-11-13-12-8-6-5-7-9-12/h12-13H,4-11H2,1-3H3
InChIKeyWOZQIGJVWVWNKQ-UHFFFAOYSA-N
XLogP2.52
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.44
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[3-[diethoxy(methoxy)silyl]propyl]cyclohexanamine
CID 66781682
N-(3-tripropoxysilylpropyl)cyclohexanamine
CID 139879994
N-(cyclohexyl-methoxy-propylsilyl)cyclohexanamine
CID 151139823
N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine
CID 160784972
azane;bis(trimethoxy(propyl)silane)
CID 87892957
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
ethenyl-tris(2-methoxyethoxy)silane;N-(3-trimethoxysilylpropyl)cyclohexanamine
CID 172850782
azane;sulfane;bis(trimethoxy(propyl)silane)
CID 173220006
N-propylcyclohexanamine;hydrochloride
CID 17370003
azane;N-propylcyclohexanamine
CID 19368218
dimethoxy-propyl-(pyrrolidin-1-ylmethoxy)silane
CID 161237327

Frequently Asked Questions

What is the IUPAC name of N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine?
The IUPAC name of N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine (CID 70530574) is N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine.
What is the SMILES notation for N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine?
The canonical SMILES for N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine is CCC[Si](OC)(OC)OCNC1CCCCC1.
What is the InChIKey of N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine?
The InChIKey is WOZQIGJVWVWNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3Si/c1-4-10-17(14-2,15-3)16-11-13-12-8-6-5-7-9-12/h12-13H,4-11H2,1-3H3.
What are the key properties of N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine?
N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine has a molecular weight of 261.44 g/mol, XLogP of 2.52, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[dimethoxy(propyl)silyl]oxymethyl]cyclohexanamine is sourced from PubChem (CID 70530574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).