4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine

C11H27ClN2Si — CID 154261194

IUPAC4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine
SMILESCCN(CC)CC(CCCl)N[Si](C)(C)C
InChIInChI=1S/C11H27ClN2Si/c1-6-14(7-2)10-11(8-9-12)13-15(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyUBWJDVNOWDGHQO-UHFFFAOYSA-N
MW250.89 g/mol
LogP2.75
Rot. Bonds8

About 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine

4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine (PubChem CID 154261194) has the molecular formula C11H27ClN2Si and a molecular weight of 250.89 g/mol. Its IUPAC name is 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine.

Molecular Properties

Compound Name4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine
PubChem CID154261194
Molecular FormulaC11H27ClN2Si
Molecular Weight250.89 g/mol
Exact Mass250.16
IUPAC Name4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine
SMILESCCN(CC)CC(CCCl)N[Si](C)(C)C
InChIInChI=1S/C11H27ClN2Si/c1-6-14(7-2)10-11(8-9-12)13-15(3,4)5/h11,13H,6-10H2,1-5H3
InChIKeyUBWJDVNOWDGHQO-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.89
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine?
The IUPAC name of 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine (CID 154261194) is 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine.
What is the SMILES notation for 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine?
The canonical SMILES for 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine is CCN(CC)CC(CCCl)N[Si](C)(C)C.
What is the InChIKey of 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine?
The InChIKey is UBWJDVNOWDGHQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27ClN2Si/c1-6-14(7-2)10-11(8-9-12)13-15(3,4)5/h11,13H,6-10H2,1-5H3.
What are the key properties of 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine?
4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine has a molecular weight of 250.89 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-N,1-N-diethyl-2-N-trimethylsilylbutane-1,2-diamine is sourced from PubChem (CID 154261194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).