2-triethoxysilylbutane-1,4-diamine

C10H26N2O3Si — CID 89315608

IUPAC2-triethoxysilylbutane-1,4-diamine
SMILESCCO[Si](OCC)(OCC)C(CN)CCN
InChIInChI=1S/C10H26N2O3Si/c1-4-13-16(14-5-2,15-6-3)10(9-12)7-8-11/h10H,4-9,11-12H2,1-3H3
InChIKeyVRMONFQDPMAZGM-UHFFFAOYSA-N
MW250.41 g/mol
LogP0.71
Rot. Bonds10

About 2-triethoxysilylbutane-1,4-diamine

2-triethoxysilylbutane-1,4-diamine (PubChem CID 89315608) has the molecular formula C10H26N2O3Si and a molecular weight of 250.41 g/mol. Its IUPAC name is 2-triethoxysilylbutane-1,4-diamine.

Molecular Properties

Compound Name2-triethoxysilylbutane-1,4-diamine
PubChem CID89315608
Molecular FormulaC10H26N2O3Si
Molecular Weight250.41 g/mol
Exact Mass250.17
IUPAC Name2-triethoxysilylbutane-1,4-diamine
SMILESCCO[Si](OCC)(OCC)C(CN)CCN
InChIInChI=1S/C10H26N2O3Si/c1-4-13-16(14-5-2,15-6-3)10(9-12)7-8-11/h10H,4-9,11-12H2,1-3H3
InChIKeyVRMONFQDPMAZGM-UHFFFAOYSA-N
XLogP0.71
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.41
LogP ≤ 50.71
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

2-triethoxysilylhexan-1-amine
CID 87125413
triethoxy-[1,3,3-tris(triethoxysilyl)propyl]silane
CID 22222937
3,3-bis(triethoxysilyl)propane-1-thiol
CID 91095961
N',N'-bis(1-triethoxysilylpropyl)ethane-1,2-diamine
CID 87274302
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
triethoxy(5-methylhexan-3-yl)silane
CID 175575145
3-[methoxy(dimethyl)silyl]pentan-1-amine
CID 174756511
ethane-1,2-diamine;triethoxy(methyl)silane
CID 158658037
3-trimethoxysilyltetradecan-1-amine
CID 22997270
N'-(2-triethoxysilylpropyl)ethane-1,2-diamine
CID 14875971
4-[ethoxy(diethyl)silyl]pentane-1,3-diamine
CID 142714275
N'-(2-methyl-1-triethoxysilylpropyl)ethane-1,2-diamine
CID 22359732

Frequently Asked Questions

What is the IUPAC name of 2-triethoxysilylbutane-1,4-diamine?
The IUPAC name of 2-triethoxysilylbutane-1,4-diamine (CID 89315608) is 2-triethoxysilylbutane-1,4-diamine.
What is the SMILES notation for 2-triethoxysilylbutane-1,4-diamine?
The canonical SMILES for 2-triethoxysilylbutane-1,4-diamine is CCO[Si](OCC)(OCC)C(CN)CCN.
What is the InChIKey of 2-triethoxysilylbutane-1,4-diamine?
The InChIKey is VRMONFQDPMAZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H26N2O3Si/c1-4-13-16(14-5-2,15-6-3)10(9-12)7-8-11/h10H,4-9,11-12H2,1-3H3.
What are the key properties of 2-triethoxysilylbutane-1,4-diamine?
2-triethoxysilylbutane-1,4-diamine has a molecular weight of 250.41 g/mol, XLogP of 0.71, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-triethoxysilylbutane-1,4-diamine is sourced from PubChem (CID 89315608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).