N-(3-tripropoxysilylpropyl)cyclohexanamine

C18H39NO3Si — CID 139879994

IUPACN-(3-tripropoxysilylpropyl)cyclohexanamine
SMILESCCCO[Si](CCCNC1CCCCC1)(OCCC)OCCC
InChIInChI=1S/C18H39NO3Si/c1-4-14-20-23(21-15-5-2,22-16-6-3)17-10-13-19-18-11-8-7-9-12-18/h18-19H,4-17H2,1-3H3
InChIKeyPMCDAQKQBXXYJP-UHFFFAOYSA-N
MW345.60 g/mol
LogP4.52
Rot. Bonds14

About N-(3-tripropoxysilylpropyl)cyclohexanamine

N-(3-tripropoxysilylpropyl)cyclohexanamine (PubChem CID 139879994) has the molecular formula C18H39NO3Si and a molecular weight of 345.60 g/mol. Its IUPAC name is N-(3-tripropoxysilylpropyl)cyclohexanamine.

Molecular Properties

Compound NameN-(3-tripropoxysilylpropyl)cyclohexanamine
PubChem CID139879994
Molecular FormulaC18H39NO3Si
Molecular Weight345.60 g/mol
Exact Mass345.27
IUPAC NameN-(3-tripropoxysilylpropyl)cyclohexanamine
SMILESCCCO[Si](CCCNC1CCCCC1)(OCCC)OCCC
InChIInChI=1S/C18H39NO3Si/c1-4-14-20-23(21-15-5-2,22-16-6-3)17-10-13-19-18-11-8-7-9-12-18/h18-19H,4-17H2,1-3H3
InChIKeyPMCDAQKQBXXYJP-UHFFFAOYSA-N
XLogP4.52
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.60
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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
N-(3-dimethoxysilylpropyl)cyclohexanamine;N-(3-trimethoxysilylpropyl)cyclohexanamine
CID 160784972
ethenyl-tris(2-methoxyethoxy)silane;N-(3-trimethoxysilylpropyl)cyclohexanamine
CID 172850782
N-(2-propoxyethyl)cyclohexanamine
CID 62583388
N-(3-octoxypropyl)cyclohexanamine
CID 63506430
N-butylcyclohexanamine;molecular hydrogen
CID 143047743
N-dodecylcyclohexanamine
CID 3679395
N-(4-ethoxybutyl)cycloheptanamine
CID 112730026
N-[3-(2-propoxyphenoxy)propyl]cyclohexanamine
CID 62573100
azane;N-propylcyclohexanamine
CID 19368218
N-propylcyclohexanamine;hydrochloride
CID 17370003
N-butylcyclohexanamine;dimethylarsanyloxy(dimethyl)arsane
CID 174757062

Frequently Asked Questions

What is the IUPAC name of N-(3-tripropoxysilylpropyl)cyclohexanamine?
The IUPAC name of N-(3-tripropoxysilylpropyl)cyclohexanamine (CID 139879994) is N-(3-tripropoxysilylpropyl)cyclohexanamine.
What is the SMILES notation for N-(3-tripropoxysilylpropyl)cyclohexanamine?
The canonical SMILES for N-(3-tripropoxysilylpropyl)cyclohexanamine is CCCO[Si](CCCNC1CCCCC1)(OCCC)OCCC.
What is the InChIKey of N-(3-tripropoxysilylpropyl)cyclohexanamine?
The InChIKey is PMCDAQKQBXXYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO3Si/c1-4-14-20-23(21-15-5-2,22-16-6-3)17-10-13-19-18-11-8-7-9-12-18/h18-19H,4-17H2,1-3H3.
What are the key properties of N-(3-tripropoxysilylpropyl)cyclohexanamine?
N-(3-tripropoxysilylpropyl)cyclohexanamine has a molecular weight of 345.60 g/mol, XLogP of 4.52, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tripropoxysilylpropyl)cyclohexanamine is sourced from PubChem (CID 139879994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).