N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine

C11H26ClNSi — CID 87334614

IUPACN-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine
SMILESCCC(C)[Si](Cl)(C(C)C)N(CC)CC
InChIInChI=1S/C11H26ClNSi/c1-7-11(6)14(12,10(4)5)13(8-2)9-3/h10-11H,7-9H2,1-6H3
InChIKeyZPRRTNJAMMELHF-UHFFFAOYSA-N
MW235.87 g/mol
LogP4.22
Rot. Bonds6

About N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine

N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine (PubChem CID 87334614) has the molecular formula C11H26ClNSi and a molecular weight of 235.87 g/mol. Its IUPAC name is N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine.

Molecular Properties

Compound NameN-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine
PubChem CID87334614
Molecular FormulaC11H26ClNSi
Molecular Weight235.87 g/mol
Exact Mass235.15
IUPAC NameN-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine
SMILESCCC(C)[Si](Cl)(C(C)C)N(CC)CC
InChIInChI=1S/C11H26ClNSi/c1-7-11(6)14(12,10(4)5)13(8-2)9-3/h10-11H,7-9H2,1-6H3
InChIKeyZPRRTNJAMMELHF-UHFFFAOYSA-N
XLogP4.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.87
LogP ≤ 54.22
H-Bond Donors ≤ 50
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-propan-2-ylsilyl)-N-ethylethanamine?
The IUPAC name of N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine (CID 87334614) is N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine.
What is the SMILES notation for N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine?
The canonical SMILES for N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine is CCC(C)[Si](Cl)(C(C)C)N(CC)CC.
What is the InChIKey of N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine?
The InChIKey is ZPRRTNJAMMELHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26ClNSi/c1-7-11(6)14(12,10(4)5)13(8-2)9-3/h10-11H,7-9H2,1-6H3.
What are the key properties of N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine?
N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine has a molecular weight of 235.87 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(butan-2-yl-chloro-propan-2-ylsilyl)-N-ethylethanamine is sourced from PubChem (CID 87334614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).