4-(aminomethyl)-1,1-dimethylsilepan-4-ol

C9H21NOSi — CID 122714241

IUPAC4-(aminomethyl)-1,1-dimethylsilepan-4-ol
SMILESC[Si]1(C)CCCC(O)(CN)CC1
InChIInChI=1S/C9H21NOSi/c1-12(2)6-3-4-9(11,8-10)5-7-12/h11H,3-8,10H2,1-2H3
InChIKeyVLCHSFIPZXEECW-UHFFFAOYSA-N
MW187.36 g/mol
LogP1.57
Rot. Bonds1

About 4-(aminomethyl)-1,1-dimethylsilepan-4-ol

4-(aminomethyl)-1,1-dimethylsilepan-4-ol (PubChem CID 122714241) has the molecular formula C9H21NOSi and a molecular weight of 187.36 g/mol. Its IUPAC name is 4-(aminomethyl)-1,1-dimethylsilepan-4-ol.

Molecular Properties

Compound Name4-(aminomethyl)-1,1-dimethylsilepan-4-ol
PubChem CID122714241
Molecular FormulaC9H21NOSi
Molecular Weight187.36 g/mol
Exact Mass187.14
IUPAC Name4-(aminomethyl)-1,1-dimethylsilepan-4-ol
SMILESC[Si]1(C)CCCC(O)(CN)CC1
InChIInChI=1S/C9H21NOSi/c1-12(2)6-3-4-9(11,8-10)5-7-12/h11H,3-8,10H2,1-2H3
InChIKeyVLCHSFIPZXEECW-UHFFFAOYSA-N
XLogP1.57
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.36
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1,1-dimethylsilepan-4-ol?
The IUPAC name of 4-(aminomethyl)-1,1-dimethylsilepan-4-ol (CID 122714241) is 4-(aminomethyl)-1,1-dimethylsilepan-4-ol.
What is the SMILES notation for 4-(aminomethyl)-1,1-dimethylsilepan-4-ol?
The canonical SMILES for 4-(aminomethyl)-1,1-dimethylsilepan-4-ol is C[Si]1(C)CCCC(O)(CN)CC1.
What is the InChIKey of 4-(aminomethyl)-1,1-dimethylsilepan-4-ol?
The InChIKey is VLCHSFIPZXEECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NOSi/c1-12(2)6-3-4-9(11,8-10)5-7-12/h11H,3-8,10H2,1-2H3.
What are the key properties of 4-(aminomethyl)-1,1-dimethylsilepan-4-ol?
4-(aminomethyl)-1,1-dimethylsilepan-4-ol has a molecular weight of 187.36 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1,1-dimethylsilepan-4-ol is sourced from PubChem (CID 122714241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).