1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine

C18H42N2O6Si2 — CID 141420285

IUPAC1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine
SMILESCO[Si](CCCC1(N)CCCCC1(N)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H42N2O6Si2/c1-21-27(22-2,23-3)15-9-13-17(19)11-7-8-12-18(17,20)14-10-16-28(24-4,25-5)26-6/h7-16,19-20H2,1-6H3
InChIKeyHJIICMMUVGNLML-UHFFFAOYSA-N
MW438.71 g/mol
LogP2.27
Rot. Bonds14

About 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine

1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine (PubChem CID 141420285) has the molecular formula C18H42N2O6Si2 and a molecular weight of 438.71 g/mol. Its IUPAC name is 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine
PubChem CID141420285
Molecular FormulaC18H42N2O6Si2
Molecular Weight438.71 g/mol
Exact Mass438.26
IUPAC Name1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine
SMILESCO[Si](CCCC1(N)CCCCC1(N)CCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H42N2O6Si2/c1-21-27(22-2,23-3)15-9-13-17(19)11-7-8-12-18(17,20)14-10-16-28(24-4,25-5)26-6/h7-16,19-20H2,1-6H3
InChIKeyHJIICMMUVGNLML-UHFFFAOYSA-N
XLogP2.27
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.71
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

cyclobutane;3-trimethoxysilylpropan-1-amine
CID 175187694
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CID 161482517
trimethoxy-[3-(2-methyloxiran-2-yl)propyl]silane
CID 141163701
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
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CID 158013726
36-trimethoxysilylhexatriacontan-1-amine
CID 87680936
33-trimethoxysilyltritriacontan-1-amine
CID 87686996
hydron;3-trimethoxysilylpropane-1-thiol
CID 174944178
3-silylpropan-1-amine;3-trimethoxysilylpropan-1-amine
CID 158758636
N'-(2-aminoethyl)ethane-1,2-diamine;3-trimethoxysilylpropan-1-amine
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isothiocyanic acid;3-trimethoxysilylpropan-1-amine
CID 172722891

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine?
The IUPAC name of 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine (CID 141420285) is 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine.
What is the SMILES notation for 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine?
The canonical SMILES for 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine is CO[Si](CCCC1(N)CCCCC1(N)CCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine?
The InChIKey is HJIICMMUVGNLML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H42N2O6Si2/c1-21-27(22-2,23-3)15-9-13-17(19)11-7-8-12-18(17,20)14-10-16-28(24-4,25-5)26-6/h7-16,19-20H2,1-6H3.
What are the key properties of 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine?
1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine has a molecular weight of 438.71 g/mol, XLogP of 2.27, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(3-trimethoxysilylpropyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 141420285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).