3-ethyl-7-trimethoxysilylheptane-3,4-diamine

C12H30N2O3Si — CID 174995440

IUPAC3-ethyl-7-trimethoxysilylheptane-3,4-diamine
SMILESCCC(N)(CC)C(N)CCC[Si](OC)(OC)OC
InChIInChI=1S/C12H30N2O3Si/c1-6-12(14,7-2)11(13)9-8-10-18(15-3,16-4)17-5/h11H,6-10,13-14H2,1-5H3
InChIKeyKMOKWZTWEOOGHF-UHFFFAOYSA-N
MW278.47 g/mol
LogP1.49
Rot. Bonds10

About 3-ethyl-7-trimethoxysilylheptane-3,4-diamine

3-ethyl-7-trimethoxysilylheptane-3,4-diamine (PubChem CID 174995440) has the molecular formula C12H30N2O3Si and a molecular weight of 278.47 g/mol. Its IUPAC name is 3-ethyl-7-trimethoxysilylheptane-3,4-diamine.

Molecular Properties

Compound Name3-ethyl-7-trimethoxysilylheptane-3,4-diamine
PubChem CID174995440
Molecular FormulaC12H30N2O3Si
Molecular Weight278.47 g/mol
Exact Mass278.20
IUPAC Name3-ethyl-7-trimethoxysilylheptane-3,4-diamine
SMILESCCC(N)(CC)C(N)CCC[Si](OC)(OC)OC
InChIInChI=1S/C12H30N2O3Si/c1-6-12(14,7-2)11(13)9-8-10-18(15-3,16-4)17-5/h11H,6-10,13-14H2,1-5H3
InChIKeyKMOKWZTWEOOGHF-UHFFFAOYSA-N
XLogP1.49
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.47
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,8-bis(trimethoxysilyl)octane-4,5-diamine
CID 57029504
2-methyl-4-(3-trimethoxysilylpropyl)nonan-2-amine
CID 87201991
2-methyl-4-(3-trimethoxysilylpropyl)henicosan-2-amine
CID 87229361
3-ethyldocos-13-ene-3,4-diamine
CID 54511499
trimethoxy(4-methylheptyl)silane
CID 23534240
hexane;3-trimethoxysilylpropane-1,1-diamine
CID 174757276
1,5-bis(trimethoxysilyl)pentan-3-amine
CID 87668176
3-ethyl-1-trimethoxysilylpentan-3-amine
CID 21018739
4-propyl-1,7-bis(trimethoxysilyl)heptan-4-amine
CID 87669047
1-trimethoxysilylhenicos-12-en-4-amine
CID 91011586
2-N-(2-aminoethyl)-5-trimethoxysilylpentane-1,2-diamine
CID 87271772
2-(3-trimethoxysilylpropyl)docosan-1-amine;hydrochloride
CID 173031291

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-trimethoxysilylheptane-3,4-diamine?
The IUPAC name of 3-ethyl-7-trimethoxysilylheptane-3,4-diamine (CID 174995440) is 3-ethyl-7-trimethoxysilylheptane-3,4-diamine.
What is the SMILES notation for 3-ethyl-7-trimethoxysilylheptane-3,4-diamine?
The canonical SMILES for 3-ethyl-7-trimethoxysilylheptane-3,4-diamine is CCC(N)(CC)C(N)CCC[Si](OC)(OC)OC.
What is the InChIKey of 3-ethyl-7-trimethoxysilylheptane-3,4-diamine?
The InChIKey is KMOKWZTWEOOGHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H30N2O3Si/c1-6-12(14,7-2)11(13)9-8-10-18(15-3,16-4)17-5/h11H,6-10,13-14H2,1-5H3.
What are the key properties of 3-ethyl-7-trimethoxysilylheptane-3,4-diamine?
3-ethyl-7-trimethoxysilylheptane-3,4-diamine has a molecular weight of 278.47 g/mol, XLogP of 1.49, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-trimethoxysilylheptane-3,4-diamine is sourced from PubChem (CID 174995440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).