N-(butan-2-yl-butyl-chlorosilyl)ethanamine

C10H24ClNSi — CID 87334179

IUPACN-(butan-2-yl-butyl-chlorosilyl)ethanamine
SMILESCCCC[Si](Cl)(NCC)C(C)CC
InChIInChI=1S/C10H24ClNSi/c1-5-8-9-13(11,12-7-3)10(4)6-2/h10,12H,5-9H2,1-4H3
InChIKeyTURCEMHGOIZSTC-UHFFFAOYSA-N
MW221.85 g/mol
LogP3.88
Rot. Bonds7

About N-(butan-2-yl-butyl-chlorosilyl)ethanamine

N-(butan-2-yl-butyl-chlorosilyl)ethanamine (PubChem CID 87334179) has the molecular formula C10H24ClNSi and a molecular weight of 221.85 g/mol. Its IUPAC name is N-(butan-2-yl-butyl-chlorosilyl)ethanamine.

Molecular Properties

Compound NameN-(butan-2-yl-butyl-chlorosilyl)ethanamine
PubChem CID87334179
Molecular FormulaC10H24ClNSi
Molecular Weight221.85 g/mol
Exact Mass221.14
IUPAC NameN-(butan-2-yl-butyl-chlorosilyl)ethanamine
SMILESCCCC[Si](Cl)(NCC)C(C)CC
InChIInChI=1S/C10H24ClNSi/c1-5-8-9-13(11,12-7-3)10(4)6-2/h10,12H,5-9H2,1-4H3
InChIKeyTURCEMHGOIZSTC-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.85
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(butan-2-yl-butyl-chlorosilyl)ethanamine?
The IUPAC name of N-(butan-2-yl-butyl-chlorosilyl)ethanamine (CID 87334179) is N-(butan-2-yl-butyl-chlorosilyl)ethanamine.
What is the SMILES notation for N-(butan-2-yl-butyl-chlorosilyl)ethanamine?
The canonical SMILES for N-(butan-2-yl-butyl-chlorosilyl)ethanamine is CCCC[Si](Cl)(NCC)C(C)CC.
What is the InChIKey of N-(butan-2-yl-butyl-chlorosilyl)ethanamine?
The InChIKey is TURCEMHGOIZSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24ClNSi/c1-5-8-9-13(11,12-7-3)10(4)6-2/h10,12H,5-9H2,1-4H3.
What are the key properties of N-(butan-2-yl-butyl-chlorosilyl)ethanamine?
N-(butan-2-yl-butyl-chlorosilyl)ethanamine has a molecular weight of 221.85 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yl-butyl-chlorosilyl)ethanamine is sourced from PubChem (CID 87334179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).