3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride

C19H28ClNOSi — CID 169448612

IUPAC3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride
SMILESCC(C)(C)[Si](OCCCN)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H27NOSi.ClH/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18;/h4-9,11-14H,10,15-16,20H2,1-3H3;1H
InChIKeyMHGOVZUDASYWLI-UHFFFAOYSA-N
MW349.98 g/mol
LogP3.33
Rot. Bonds6

About 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride

3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride (PubChem CID 169448612) has the molecular formula C19H28ClNOSi and a molecular weight of 349.98 g/mol. Its IUPAC name is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride
PubChem CID169448612
Molecular FormulaC19H28ClNOSi
Molecular Weight349.98 g/mol
Exact Mass349.16
IUPAC Name3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride
SMILESCC(C)(C)[Si](OCCCN)(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C19H27NOSi.ClH/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18;/h4-9,11-14H,10,15-16,20H2,1-3H3;1H
InChIKeyMHGOVZUDASYWLI-UHFFFAOYSA-N
XLogP3.33
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.98
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride?
The IUPAC name of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride (CID 169448612) is 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride.
What is the SMILES notation for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride?
The canonical SMILES for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride is CC(C)(C)[Si](OCCCN)(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride?
The InChIKey is MHGOVZUDASYWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NOSi.ClH/c1-19(2,3)22(21-16-10-15-20,17-11-6-4-7-12-17)18-13-8-5-9-14-18;/h4-9,11-14H,10,15-16,20H2,1-3H3;1H.
What are the key properties of 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride?
3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride has a molecular weight of 349.98 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[tert-butyl(diphenyl)silyl]oxypropan-1-amine;hydrochloride is sourced from PubChem (CID 169448612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).