ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine

C23H61N3O9Si3 — CID 88707038

IUPACethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine
SMILESCCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.CCC[Si](OCC)(OCC)OCC.NCCN
InChIInChI=1S/C12H31NO6Si2.C9H22O3Si.C2H8N2/c1-9-11(20(14-3,15-4)16-5)13-12(10-2)21(17-6,18-7)19-8;1-5-9-13(10-6-2,11-7-3)12-8-4;3-1-2-4/h11-13H,9-10H2,1-8H3;5-9H2,1-4H3;1-4H2
InChIKeyIAJCTAFQHKGOMQ-UHFFFAOYSA-N
MW608.01 g/mol
LogP2.32
Rot. Bonds21

About ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine

ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine (PubChem CID 88707038) has the molecular formula C23H61N3O9Si3 and a molecular weight of 608.01 g/mol. Its IUPAC name is ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine.

Molecular Properties

Compound Nameethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine
PubChem CID88707038
Molecular FormulaC23H61N3O9Si3
Molecular Weight608.01 g/mol
Exact Mass607.37
IUPAC Nameethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine
SMILESCCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.CCC[Si](OCC)(OCC)OCC.NCCN
InChIInChI=1S/C12H31NO6Si2.C9H22O3Si.C2H8N2/c1-9-11(20(14-3,15-4)16-5)13-12(10-2)21(17-6,18-7)19-8;1-5-9-13(10-6-2,11-7-3)12-8-4;3-1-2-4/h11-13H,9-10H2,1-8H3;5-9H2,1-4H3;1-4H2
InChIKeyIAJCTAFQHKGOMQ-UHFFFAOYSA-N
XLogP2.32
TPSA147.14 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.01
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

butyl(triethoxy)silane;trimethoxy(propyl)silane
CID 158050354
N-methylmethanamine;triethoxy(propyl)silane
CID 22145973
triethoxy(propyl)silane;trimethoxysilane
CID 159942236
CID 175896662
CID 175896662
1-(ethoxy-methoxy-propylsilyl)oxyethanamine
CID 87663977
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
tetrapropyl silicate;triethoxy(propyl)silane
CID 174059374
2-[ethoxy-(2-hydroxyethoxy)-propylsilyl]oxyethanol;methanamine
CID 87723568
N-methyl-1-trimethoxysilylpropan-1-amine
CID 19607493
carbamic acid;triethoxy(propyl)silane
CID 175441799
heptadecyl(trimethoxy)silane;triethoxy(heptadecyl)silane
CID 161331020
ethyl(tripropoxy)silane;triethoxy(propyl)silane
CID 19799420

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
The IUPAC name of ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine (CID 88707038) is ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine.
What is the SMILES notation for ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
The canonical SMILES for ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine is CCC(NC(CC)[Si](OC)(OC)OC)[Si](OC)(OC)OC.CCC[Si](OCC)(OCC)OCC.NCCN.
What is the InChIKey of ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
The InChIKey is IAJCTAFQHKGOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31NO6Si2.C9H22O3Si.C2H8N2/c1-9-11(20(14-3,15-4)16-5)13-12(10-2)21(17-6,18-7)19-8;1-5-9-13(10-6-2,11-7-3)12-8-4;3-1-2-4/h11-13H,9-10H2,1-8H3;5-9H2,1-4H3;1-4H2.
What are the key properties of ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine?
ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine has a molecular weight of 608.01 g/mol, XLogP of 2.32, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diamine;triethoxy(propyl)silane;1-trimethoxysilyl-N-(1-trimethoxysilylpropyl)propan-1-amine is sourced from PubChem (CID 88707038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).