3-(triethoxysilylmethyl)heptan-2-amine

C14H33NO3Si — CID 23048093

IUPAC3-(triethoxysilylmethyl)heptan-2-amine
SMILESCCCCC(C[Si](OCC)(OCC)OCC)C(C)N
InChIInChI=1S/C14H33NO3Si/c1-6-10-11-14(13(5)15)12-19(16-7-2,17-8-3)18-9-4/h13-14H,6-12,15H2,1-5H3
InChIKeyCYEHZDVCFHAYAH-UHFFFAOYSA-N
MW291.51 g/mol
LogP3.19
Rot. Bonds12

About 3-(triethoxysilylmethyl)heptan-2-amine

3-(triethoxysilylmethyl)heptan-2-amine (PubChem CID 23048093) has the molecular formula C14H33NO3Si and a molecular weight of 291.51 g/mol. Its IUPAC name is 3-(triethoxysilylmethyl)heptan-2-amine.

Molecular Properties

Compound Name3-(triethoxysilylmethyl)heptan-2-amine
PubChem CID23048093
Molecular FormulaC14H33NO3Si
Molecular Weight291.51 g/mol
Exact Mass291.22
IUPAC Name3-(triethoxysilylmethyl)heptan-2-amine
SMILESCCCCC(C[Si](OCC)(OCC)OCC)C(C)N
InChIInChI=1S/C14H33NO3Si/c1-6-10-11-14(13(5)15)12-19(16-7-2,17-8-3)18-9-4/h13-14H,6-12,15H2,1-5H3
InChIKeyCYEHZDVCFHAYAH-UHFFFAOYSA-N
XLogP3.19
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.51
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-triethoxysilylheptan-2-amine
CID 90410833
1-triethoxysilylpropan-2-amine
CID 10236113
3-ethylheptan-2-amine
CID 61000696
triethoxy(2-heptylundecyl)silane
CID 139707869
triethoxy-(3-ethyl-2-methylpentyl)silane
CID 18696416
3-decyltridecan-2-amine;hydrochloride
CID 173130271
1-triethoxysilylnonan-3-amine
CID 174893376
diethoxy-ethyl-pentadecan-2-yloxysilane
CID 161487251
4-propyl-5-(triethoxysilylmethyl)nonadecan-4-amine
CID 87394069
diethoxy-octyl-pentadecan-2-yloxysilane
CID 150899900
1-(ethoxy-methoxy-propylsilyl)oxyethanamine
CID 87663977
1-(amino-ethoxy-propylsilyl)oxyethanamine
CID 175174366

Frequently Asked Questions

What is the IUPAC name of 3-(triethoxysilylmethyl)heptan-2-amine?
The IUPAC name of 3-(triethoxysilylmethyl)heptan-2-amine (CID 23048093) is 3-(triethoxysilylmethyl)heptan-2-amine.
What is the SMILES notation for 3-(triethoxysilylmethyl)heptan-2-amine?
The canonical SMILES for 3-(triethoxysilylmethyl)heptan-2-amine is CCCCC(C[Si](OCC)(OCC)OCC)C(C)N.
What is the InChIKey of 3-(triethoxysilylmethyl)heptan-2-amine?
The InChIKey is CYEHZDVCFHAYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33NO3Si/c1-6-10-11-14(13(5)15)12-19(16-7-2,17-8-3)18-9-4/h13-14H,6-12,15H2,1-5H3.
What are the key properties of 3-(triethoxysilylmethyl)heptan-2-amine?
3-(triethoxysilylmethyl)heptan-2-amine has a molecular weight of 291.51 g/mol, XLogP of 3.19, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triethoxysilylmethyl)heptan-2-amine is sourced from PubChem (CID 23048093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).