3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine

C11H28N2O3Si — CID 172810414

IUPAC3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine
SMILESCNC(C)CCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C11H28N2O3Si/c1-11(12-2)7-9-13-8-6-10-17(14-3,15-4)16-5/h11-13H,6-10H2,1-5H3
InChIKeySCEBZJDONGNXCZ-UHFFFAOYSA-N
MW264.44 g/mol
LogP0.84
Rot. Bonds11

About 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine

3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine (PubChem CID 172810414) has the molecular formula C11H28N2O3Si and a molecular weight of 264.44 g/mol. Its IUPAC name is 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine
PubChem CID172810414
Molecular FormulaC11H28N2O3Si
Molecular Weight264.44 g/mol
Exact Mass264.19
IUPAC Name3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine
SMILESCNC(C)CCNCCC[Si](OC)(OC)OC
InChIInChI=1S/C11H28N2O3Si/c1-11(12-2)7-9-13-8-6-10-17(14-3,15-4)16-5/h11-13H,6-10H2,1-5H3
InChIKeySCEBZJDONGNXCZ-UHFFFAOYSA-N
XLogP0.84
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.44
LogP ≤ 50.84
H-Bond Donors ≤ 52
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

18-methyl-N-(3-trimethoxysilylpropyl)nonadecan-1-amine;hydrochloride
CID 175425921
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
3-propan-2-yloxy-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 142737750
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
1-N-[4-[3-(butan-2-ylamino)butylamino]butyl]-3-N-methylbutane-1,3-diamine
CID 153341749
3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
CID 171623611
1-N-(3-trimethoxysilylpropyl)butane-1,2,3-triamine
CID 175223273
N'-[2-(4-trimethoxysilylbutoxy)propyl]-N-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 20618096

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine (CID 172810414) is 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine is CNC(C)CCNCCC[Si](OC)(OC)OC.
What is the InChIKey of 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine?
The InChIKey is SCEBZJDONGNXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si/c1-11(12-2)7-9-13-8-6-10-17(14-3,15-4)16-5/h11-13H,6-10H2,1-5H3.
What are the key properties of 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine?
3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine has a molecular weight of 264.44 g/mol, XLogP of 0.84, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(3-trimethoxysilylpropyl)butane-1,3-diamine is sourced from PubChem (CID 172810414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).