ethane;1-methyl-2-methylideneazetidine

C9H21N — CID 166532028

IUPACethane;1-methyl-2-methylideneazetidine
SMILESC=C1CCN1C.CC.CC
InChIInChI=1S/C5H9N.2C2H6/c1-5-3-4-6(5)2;2*1-2/h1,3-4H2,2H3;2*1-2H3
InChIKeyIRYPATPOUOCYRF-UHFFFAOYSA-N
MW143.27 g/mol
LogP2.89
Rot. Bonds

About ethane;1-methyl-2-methylideneazetidine

ethane;1-methyl-2-methylideneazetidine (PubChem CID 166532028) has the molecular formula C9H21N and a molecular weight of 143.27 g/mol. Its IUPAC name is ethane;1-methyl-2-methylideneazetidine.

Molecular Properties

Compound Nameethane;1-methyl-2-methylideneazetidine
PubChem CID166532028
Molecular FormulaC9H21N
Molecular Weight143.27 g/mol
Exact Mass143.17
IUPAC Nameethane;1-methyl-2-methylideneazetidine
SMILESC=C1CCN1C.CC.CC
InChIInChI=1S/C5H9N.2C2H6/c1-5-3-4-6(5)2;2*1-2/h1,3-4H2,2H3;2*1-2H3
InChIKeyIRYPATPOUOCYRF-UHFFFAOYSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.27
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-2-methylideneazetidine?
The IUPAC name of ethane;1-methyl-2-methylideneazetidine (CID 166532028) is ethane;1-methyl-2-methylideneazetidine.
What is the SMILES notation for ethane;1-methyl-2-methylideneazetidine?
The canonical SMILES for ethane;1-methyl-2-methylideneazetidine is C=C1CCN1C.CC.CC.
What is the InChIKey of ethane;1-methyl-2-methylideneazetidine?
The InChIKey is IRYPATPOUOCYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.2C2H6/c1-5-3-4-6(5)2;2*1-2/h1,3-4H2,2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-2-methylideneazetidine?
ethane;1-methyl-2-methylideneazetidine has a molecular weight of 143.27 g/mol, XLogP of 2.89, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-2-methylideneazetidine is sourced from PubChem (CID 166532028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).