2-ethyl-1,3,3-trimethyl-4-methylideneazetidine

C9H17N — CID 54220344

IUPAC2-ethyl-1,3,3-trimethyl-4-methylideneazetidine
SMILESC=C1N(C)C(CC)C1(C)C
InChIInChI=1S/C9H17N/c1-6-8-9(3,4)7(2)10(8)5/h8H,2,6H2,1,3-5H3
InChIKeyQCDKKBISDSKNGC-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.25
Rot. Bonds1

About 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine

2-ethyl-1,3,3-trimethyl-4-methylideneazetidine (PubChem CID 54220344) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine.

Molecular Properties

Compound Name2-ethyl-1,3,3-trimethyl-4-methylideneazetidine
PubChem CID54220344
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-ethyl-1,3,3-trimethyl-4-methylideneazetidine
SMILESC=C1N(C)C(CC)C1(C)C
InChIInChI=1S/C9H17N/c1-6-8-9(3,4)7(2)10(8)5/h8H,2,6H2,1,3-5H3
InChIKeyQCDKKBISDSKNGC-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine?
The IUPAC name of 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine (CID 54220344) is 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine.
What is the SMILES notation for 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine?
The canonical SMILES for 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine is C=C1N(C)C(CC)C1(C)C.
What is the InChIKey of 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine?
The InChIKey is QCDKKBISDSKNGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-6-8-9(3,4)7(2)10(8)5/h8H,2,6H2,1,3-5H3.
What are the key properties of 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine?
2-ethyl-1,3,3-trimethyl-4-methylideneazetidine has a molecular weight of 139.24 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,3,3-trimethyl-4-methylideneazetidine is sourced from PubChem (CID 54220344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).