N-(butan-2-yl-chloro-propylsilyl)ethanamine

C9H22ClNSi — CID 87334207

IUPACN-(butan-2-yl-chloro-propylsilyl)ethanamine
SMILESCCC[Si](Cl)(NCC)C(C)CC
InChIInChI=1S/C9H22ClNSi/c1-5-8-12(10,11-7-3)9(4)6-2/h9,11H,5-8H2,1-4H3
InChIKeySIEKKQNULXFJJG-UHFFFAOYSA-N
MW207.82 g/mol
LogP3.49
Rot. Bonds6

About N-(butan-2-yl-chloro-propylsilyl)ethanamine

N-(butan-2-yl-chloro-propylsilyl)ethanamine (PubChem CID 87334207) has the molecular formula C9H22ClNSi and a molecular weight of 207.82 g/mol. Its IUPAC name is N-(butan-2-yl-chloro-propylsilyl)ethanamine.

Molecular Properties

Compound NameN-(butan-2-yl-chloro-propylsilyl)ethanamine
PubChem CID87334207
Molecular FormulaC9H22ClNSi
Molecular Weight207.82 g/mol
Exact Mass207.12
IUPAC NameN-(butan-2-yl-chloro-propylsilyl)ethanamine
SMILESCCC[Si](Cl)(NCC)C(C)CC
InChIInChI=1S/C9H22ClNSi/c1-5-8-12(10,11-7-3)9(4)6-2/h9,11H,5-8H2,1-4H3
InChIKeySIEKKQNULXFJJG-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.82
LogP ≤ 53.49
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-chloro-propylsilyl)ethanamine?
The IUPAC name of N-(butan-2-yl-chloro-propylsilyl)ethanamine (CID 87334207) is N-(butan-2-yl-chloro-propylsilyl)ethanamine.
What is the SMILES notation for N-(butan-2-yl-chloro-propylsilyl)ethanamine?
The canonical SMILES for N-(butan-2-yl-chloro-propylsilyl)ethanamine is CCC[Si](Cl)(NCC)C(C)CC.
What is the InChIKey of N-(butan-2-yl-chloro-propylsilyl)ethanamine?
The InChIKey is SIEKKQNULXFJJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22ClNSi/c1-5-8-12(10,11-7-3)9(4)6-2/h9,11H,5-8H2,1-4H3.
What are the key properties of N-(butan-2-yl-chloro-propylsilyl)ethanamine?
N-(butan-2-yl-chloro-propylsilyl)ethanamine has a molecular weight of 207.82 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yl-chloro-propylsilyl)ethanamine is sourced from PubChem (CID 87334207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).