3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine

C10H24ClNO2Si — CID 174395414

IUPAC3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
SMILESCCO[Si](C)(CCCCl)OC(C)CCN
InChIInChI=1S/C10H24ClNO2Si/c1-4-13-15(3,9-5-7-11)14-10(2)6-8-12/h10H,4-9,12H2,1-3H3
InChIKeyDPPREIPINNRMKH-UHFFFAOYSA-N
MW253.85 g/mol
LogP2.48
Rot. Bonds9

About 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine

3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine (PubChem CID 174395414) has the molecular formula C10H24ClNO2Si and a molecular weight of 253.85 g/mol. Its IUPAC name is 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine.

Molecular Properties

Compound Name3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
PubChem CID174395414
Molecular FormulaC10H24ClNO2Si
Molecular Weight253.85 g/mol
Exact Mass253.13
IUPAC Name3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine
SMILESCCO[Si](C)(CCCCl)OC(C)CCN
InChIInChI=1S/C10H24ClNO2Si/c1-4-13-15(3,9-5-7-11)14-10(2)6-8-12/h10H,4-9,12H2,1-3H3
InChIKeyDPPREIPINNRMKH-UHFFFAOYSA-N
XLogP2.48
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.85
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine?
The IUPAC name of 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine (CID 174395414) is 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine.
What is the SMILES notation for 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine?
The canonical SMILES for 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine is CCO[Si](C)(CCCCl)OC(C)CCN.
What is the InChIKey of 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine?
The InChIKey is DPPREIPINNRMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24ClNO2Si/c1-4-13-15(3,9-5-7-11)14-10(2)6-8-12/h10H,4-9,12H2,1-3H3.
What are the key properties of 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine?
3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine has a molecular weight of 253.85 g/mol, XLogP of 2.48, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloropropyl-ethoxy-methylsilyl)oxybutan-1-amine is sourced from PubChem (CID 174395414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).