N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine

C12H33NO4Si4 — CID 154103709

IUPACN-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine
SMILESCCCCNC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C12H33NO4Si4/c1-9-10-11-13-12-21(8)16-19(4,5)14-18(2,3)15-20(6,7)17-21/h13H,9-12H2,1-8H3
InChIKeyMCPAKAOJKXQUMX-UHFFFAOYSA-N
MW367.74 g/mol
LogP3.17
Rot. Bonds5

About N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine

N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine (PubChem CID 154103709) has the molecular formula C12H33NO4Si4 and a molecular weight of 367.74 g/mol. Its IUPAC name is N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine
PubChem CID154103709
Molecular FormulaC12H33NO4Si4
Molecular Weight367.74 g/mol
Exact Mass367.15
IUPAC NameN-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine
SMILESCCCCNC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1
InChIInChI=1S/C12H33NO4Si4/c1-9-10-11-13-12-21(8)16-19(4,5)14-18(2,3)15-20(6,7)17-21/h13H,9-12H2,1-8H3
InChIKeyMCPAKAOJKXQUMX-UHFFFAOYSA-N
XLogP3.17
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.74
LogP ≤ 53.17
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'}

Analyze N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine with MolForge

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Related Compounds

2-butyl-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocane;2-butyl-2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecane;2-butyl-2,4,4,6,6-pentamethyl-1,3,5,2,4,6-trioxatrisilinane
CID 158551467
N-butylbutan-1-amine;hydrochloride
CID 3083954
potassium;N-butylbutan-1-amine;hydride
CID 174461538
N-butyltetradecan-1-amine
CID 3548872
N'-butyl-N-propylethane-1,2-diamine
CID 54806979
2-butyl-8-ethyl-2,4,4,6,6,8-hexamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilonane
CID 157379219
2,2,4,4,6,6,8,8,10,10,12,12,14,14,16,16,18,18,20,20,22,22,24,24,26,26,28,28,30,30,32,32,34,34,36,36,38,38,40,40,42,42,44,44,46,46,48,48,50,50,52,52,54,54,56,56,58,58-octapentacontamethyl-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51,53,55,57-nonacosaoxa-2,4,6,8,10,12,14,16,18,20,22,24,26,28,30,32,34,36,38,40,42,44,46,48,50,52,54,56,58-nonacosasilacyclooctapentacontane
CID 528782
ethane;N-ethylbutan-1-amine;yttrium
CID 59996065
N-butylbutan-1-amine;propan-1-ol
CID 174657089
(2,4,4,6,6,8,8,10,10-nonamethyl-1,3,5,7,9,2,4,6,8,10-pentaoxapentasilecan-2-yl)methanol
CID 90801151
N-(silylmethyl)butan-1-amine
CID 123797208
N'-[3-[3-(butylamino)propylamino]propyl]-N-ethylpropane-1,3-diamine
CID 58965168

Frequently Asked Questions

What is the IUPAC name of N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine?
The IUPAC name of N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine (CID 154103709) is N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine.
What is the SMILES notation for N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine?
The canonical SMILES for N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine is CCCCNC[Si]1(C)O[Si](C)(C)O[Si](C)(C)O[Si](C)(C)O1.
What is the InChIKey of N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine?
The InChIKey is MCPAKAOJKXQUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H33NO4Si4/c1-9-10-11-13-12-21(8)16-19(4,5)14-18(2,3)15-20(6,7)17-21/h13H,9-12H2,1-8H3.
What are the key properties of N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine?
N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine has a molecular weight of 367.74 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-yl)methyl]butan-1-amine is sourced from PubChem (CID 154103709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).