N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine

C18H41NO3Si — CID 19829030

IUPACN-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine
SMILESCCCCCCN(CCCCCC)C(CC)[Si](OC)(OC)OC
InChIInChI=1S/C18H41NO3Si/c1-7-10-12-14-16-19(17-15-13-11-8-2)18(9-3)23(20-4,21-5)22-6/h18H,7-17H2,1-6H3
InChIKeyGVPPURGRNPQSDI-UHFFFAOYSA-N
MW347.62 g/mol
LogP4.64
Rot. Bonds16

About N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine

N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine (PubChem CID 19829030) has the molecular formula C18H41NO3Si and a molecular weight of 347.62 g/mol. Its IUPAC name is N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine.

Molecular Properties

Compound NameN-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine
PubChem CID19829030
Molecular FormulaC18H41NO3Si
Molecular Weight347.62 g/mol
Exact Mass347.29
IUPAC NameN-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine
SMILESCCCCCCN(CCCCCC)C(CC)[Si](OC)(OC)OC
InChIInChI=1S/C18H41NO3Si/c1-7-10-12-14-16-19(17-15-13-11-8-2)18(9-3)23(20-4,21-5)22-6/h18H,7-17H2,1-6H3
InChIKeyGVPPURGRNPQSDI-UHFFFAOYSA-N
XLogP4.64
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.62
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine?
The IUPAC name of N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine (CID 19829030) is N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine.
What is the SMILES notation for N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine?
The canonical SMILES for N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine is CCCCCCN(CCCCCC)C(CC)[Si](OC)(OC)OC.
What is the InChIKey of N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine?
The InChIKey is GVPPURGRNPQSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H41NO3Si/c1-7-10-12-14-16-19(17-15-13-11-8-2)18(9-3)23(20-4,21-5)22-6/h18H,7-17H2,1-6H3.
What are the key properties of N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine?
N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine has a molecular weight of 347.62 g/mol, XLogP of 4.64, 16 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-N-(1-trimethoxysilylpropyl)hexan-1-amine is sourced from PubChem (CID 19829030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).