N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine

C10H25ClN2Si — CID 87334567

IUPACN-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine
SMILESCCC(C)[Si](Cl)(N(C)C)N(CC)CC
InChIInChI=1S/C10H25ClN2Si/c1-7-10(4)14(11,12(5)6)13(8-2)9-3/h10H,7-9H2,1-6H3
InChIKeyOMIKQUXBTFHIHA-UHFFFAOYSA-N
MW236.86 g/mol
LogP2.87
Rot. Bonds6

About N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine

N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine (PubChem CID 87334567) has the molecular formula C10H25ClN2Si and a molecular weight of 236.86 g/mol. Its IUPAC name is N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine.

Molecular Properties

Compound NameN-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine
PubChem CID87334567
Molecular FormulaC10H25ClN2Si
Molecular Weight236.86 g/mol
Exact Mass236.15
IUPAC NameN-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine
SMILESCCC(C)[Si](Cl)(N(C)C)N(CC)CC
InChIInChI=1S/C10H25ClN2Si/c1-7-10(4)14(11,12(5)6)13(8-2)9-3/h10H,7-9H2,1-6H3
InChIKeyOMIKQUXBTFHIHA-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.86
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(dimethylamino)silyl]-N-ethylethanamine?
The IUPAC name of N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine (CID 87334567) is N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine.
What is the SMILES notation for N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine?
The canonical SMILES for N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine is CCC(C)[Si](Cl)(N(C)C)N(CC)CC.
What is the InChIKey of N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine?
The InChIKey is OMIKQUXBTFHIHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H25ClN2Si/c1-7-10(4)14(11,12(5)6)13(8-2)9-3/h10H,7-9H2,1-6H3.
What are the key properties of N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine?
N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine has a molecular weight of 236.86 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[butan-2-yl-chloro-(dimethylamino)silyl]-N-ethylethanamine is sourced from PubChem (CID 87334567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).