N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine

C14H35NO4Si4 — CID 151250646

IUPACN-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(NCC2CCCCC2)O[Si](C)(C)O1
InChIInChI=1S/C14H35NO4Si4/c1-20(2)16-21(3,4)18-23(7,19-22(5,6)17-20)15-13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3
InChIKeyNSGGTEWBCYRVQO-UHFFFAOYSA-N
MW393.78 g/mol
LogP3.91
Rot. Bonds3

About N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine

N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine (PubChem CID 151250646) has the molecular formula C14H35NO4Si4 and a molecular weight of 393.78 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
PubChem CID151250646
Molecular FormulaC14H35NO4Si4
Molecular Weight393.78 g/mol
Exact Mass393.16
IUPAC NameN-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine
SMILESC[Si]1(C)O[Si](C)(C)O[Si](C)(NCC2CCCCC2)O[Si](C)(C)O1
InChIInChI=1S/C14H35NO4Si4/c1-20(2)16-21(3,4)18-23(7,19-22(5,6)17-20)15-13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3
InChIKeyNSGGTEWBCYRVQO-UHFFFAOYSA-N
XLogP3.91
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.78
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine with MolForge

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Related Compounds

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N'-(cyclopentylmethyl)-N-methylmethanediamine
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CID 62559758

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
The IUPAC name of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine (CID 151250646) is N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
The canonical SMILES for N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine is C[Si]1(C)O[Si](C)(C)O[Si](C)(NCC2CCCCC2)O[Si](C)(C)O1.
What is the InChIKey of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
The InChIKey is NSGGTEWBCYRVQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H35NO4Si4/c1-20(2)16-21(3,4)18-23(7,19-22(5,6)17-20)15-13-14-11-9-8-10-12-14/h14-15H,8-13H2,1-7H3.
What are the key properties of N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine?
N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine has a molecular weight of 393.78 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2,4,4,6,6,8,8-heptamethyl-1,3,5,7,2,4,6,8-tetraoxatetrasilocan-2-amine is sourced from PubChem (CID 151250646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).