3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine

C12H29NO4Si — CID 142737750

IUPAC3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCNCCCOC(C)C)(OC)OC
InChIInChI=1S/C12H29NO4Si/c1-12(2)17-10-6-8-13-9-7-11-18(14-3,15-4)16-5/h12-13H,6-11H2,1-5H3
InChIKeyLBDHBSGGGYMGGG-UHFFFAOYSA-N
MW279.45 g/mol
LogP1.66
Rot. Bonds12

About 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine

3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine (PubChem CID 142737750) has the molecular formula C12H29NO4Si and a molecular weight of 279.45 g/mol. Its IUPAC name is 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Name3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
PubChem CID142737750
Molecular FormulaC12H29NO4Si
Molecular Weight279.45 g/mol
Exact Mass279.19
IUPAC Name3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
SMILESCO[Si](CCCNCCCOC(C)C)(OC)OC
InChIInChI=1S/C12H29NO4Si/c1-12(2)17-10-6-8-13-9-7-11-18(14-3,15-4)16-5/h12-13H,6-11H2,1-5H3
InChIKeyLBDHBSGGGYMGGG-UHFFFAOYSA-N
XLogP1.66
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.45
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[dimethoxy(methyl)silyl]propyl]-3-propan-2-yloxypropan-1-amine
CID 142737697
N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 20618096
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
3-methyl-N-(3-propan-2-yloxypropyl)butan-1-amine
CID 28726639
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
1-(3-trimethoxysilylpropoxy)-2-(3-trimethoxysilylpropylamino)ethanol
CID 20591048
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
2-(3-propan-2-yloxypropylamino)acetonitrile
CID 94826859
3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine
CID 172810414
18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride
CID 175425921
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3-propan-2-yloxypropan-1-amine
CID 113427495
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine (CID 142737750) is 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine is CO[Si](CCCNCCCOC(C)C)(OC)OC.
What is the InChIKey of 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is LBDHBSGGGYMGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NO4Si/c1-12(2)17-10-6-8-13-9-7-11-18(14-3,15-4)16-5/h12-13H,6-11H2,1-5H3.
What are the key properties of 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine?
3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 279.45 g/mol, XLogP of 1.66, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 142737750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).