3-(1-methylsilinan-1-yl)propan-1-amine;hydrate

C9H23NOSi — CID 174478746

IUPAC3-(1-methylsilinan-1-yl)propan-1-amine;hydrate
SMILESC[Si]1(CCCN)CCCCC1.O
InChIInChI=1S/C9H21NSi.H2O/c1-11(9-5-6-10)7-3-2-4-8-11;/h2-10H2,1H3;1H2
InChIKeyQWIAOWHLZUFASC-UHFFFAOYSA-N
MW189.37 g/mol
LogP1.77
Rot. Bonds3

About 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate

3-(1-methylsilinan-1-yl)propan-1-amine;hydrate (PubChem CID 174478746) has the molecular formula C9H23NOSi and a molecular weight of 189.37 g/mol. Its IUPAC name is 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate.

Molecular Properties

Compound Name3-(1-methylsilinan-1-yl)propan-1-amine;hydrate
PubChem CID174478746
Molecular FormulaC9H23NOSi
Molecular Weight189.37 g/mol
Exact Mass189.15
IUPAC Name3-(1-methylsilinan-1-yl)propan-1-amine;hydrate
SMILESC[Si]1(CCCN)CCCCC1.O
InChIInChI=1S/C9H21NSi.H2O/c1-11(9-5-6-10)7-3-2-4-8-11;/h2-10H2,1H3;1H2
InChIKeyQWIAOWHLZUFASC-UHFFFAOYSA-N
XLogP1.77
TPSA57.52 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate?
The IUPAC name of 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate (CID 174478746) is 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate.
What is the SMILES notation for 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate?
The canonical SMILES for 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate is C[Si]1(CCCN)CCCCC1.O.
What is the InChIKey of 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate?
The InChIKey is QWIAOWHLZUFASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NSi.H2O/c1-11(9-5-6-10)7-3-2-4-8-11;/h2-10H2,1H3;1H2.
What are the key properties of 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate?
3-(1-methylsilinan-1-yl)propan-1-amine;hydrate has a molecular weight of 189.37 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylsilinan-1-yl)propan-1-amine;hydrate is sourced from PubChem (CID 174478746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).