N,N-dimethyl-6-triethoxysilylhenicosan-4-amine

C29H63NO3Si — CID 175028426

IUPACN,N-dimethyl-6-triethoxysilylhenicosan-4-amine
SMILESCCCCCCCCCCCCCCCC(CC(CCC)N(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C29H63NO3Si/c1-8-13-14-15-16-17-18-19-20-21-22-23-24-26-29(27-28(25-9-2)30(6)7)34(31-10-3,32-11-4)33-12-5/h28-29H,8-27H2,1-7H3
InChIKeyWZOYOFPOIMIVOL-UHFFFAOYSA-N
MW501.91 g/mol
LogP9.01
Rot. Bonds26

About N,N-dimethyl-6-triethoxysilylhenicosan-4-amine

N,N-dimethyl-6-triethoxysilylhenicosan-4-amine (PubChem CID 175028426) has the molecular formula C29H63NO3Si and a molecular weight of 501.91 g/mol. Its IUPAC name is N,N-dimethyl-6-triethoxysilylhenicosan-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-triethoxysilylhenicosan-4-amine
PubChem CID175028426
Molecular FormulaC29H63NO3Si
Molecular Weight501.91 g/mol
Exact Mass501.46
IUPAC NameN,N-dimethyl-6-triethoxysilylhenicosan-4-amine
SMILESCCCCCCCCCCCCCCCC(CC(CCC)N(C)C)[Si](OCC)(OCC)OCC
InChIInChI=1S/C29H63NO3Si/c1-8-13-14-15-16-17-18-19-20-21-22-23-24-26-29(27-28(25-9-2)30(6)7)34(31-10-3,32-11-4)33-12-5/h28-29H,8-27H2,1-7H3
InChIKeyWZOYOFPOIMIVOL-UHFFFAOYSA-N
XLogP9.01
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds26
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.91
LogP ≤ 59.01
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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Related Compounds

N,N-dimethyl-6-trimethoxysilylhenicosan-4-amine
CID 19829018
N,N-dimethyl-6-trimethoxysilylpentadecan-4-amine;hydrochloride
CID 173083767
N,N-dimethyl-1-triethoxysilylhexan-1-amine
CID 89262216
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
1-bromohexan-2-yl(triethoxy)silane
CID 142614028
1-triethoxysilyldecan-1-amine
CID 87463354
2-triethoxysilylhexan-1-amine
CID 87125413
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylicosan-5-amine
CID 19862397
N,N,11-trimethylpentacosan-13-amine;hydrochloride
CID 173231447

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-triethoxysilylhenicosan-4-amine?
The IUPAC name of N,N-dimethyl-6-triethoxysilylhenicosan-4-amine (CID 175028426) is N,N-dimethyl-6-triethoxysilylhenicosan-4-amine.
What is the SMILES notation for N,N-dimethyl-6-triethoxysilylhenicosan-4-amine?
The canonical SMILES for N,N-dimethyl-6-triethoxysilylhenicosan-4-amine is CCCCCCCCCCCCCCCC(CC(CCC)N(C)C)[Si](OCC)(OCC)OCC.
What is the InChIKey of N,N-dimethyl-6-triethoxysilylhenicosan-4-amine?
The InChIKey is WZOYOFPOIMIVOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H63NO3Si/c1-8-13-14-15-16-17-18-19-20-21-22-23-24-26-29(27-28(25-9-2)30(6)7)34(31-10-3,32-11-4)33-12-5/h28-29H,8-27H2,1-7H3.
What are the key properties of N,N-dimethyl-6-triethoxysilylhenicosan-4-amine?
N,N-dimethyl-6-triethoxysilylhenicosan-4-amine has a molecular weight of 501.91 g/mol, XLogP of 9.01, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-triethoxysilylhenicosan-4-amine is sourced from PubChem (CID 175028426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).