1-tert-butyl-3-methylideneazetidine;ethane

C10H21N — CID 158494649

IUPAC1-tert-butyl-3-methylideneazetidine;ethane
SMILESC=C1CN(C(C)(C)C)C1.CC
InChIInChI=1S/C8H15N.C2H6/c1-7-5-9(6-7)8(2,3)4;1-2/h1,5-6H2,2-4H3;1-2H3
InChIKeyHJCXZHFQKSGXRP-UHFFFAOYSA-N
MW155.28 g/mol
LogP2.68
Rot. Bonds

About 1-tert-butyl-3-methylideneazetidine;ethane

1-tert-butyl-3-methylideneazetidine;ethane (PubChem CID 158494649) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is 1-tert-butyl-3-methylideneazetidine;ethane.

Molecular Properties

Compound Name1-tert-butyl-3-methylideneazetidine;ethane
PubChem CID158494649
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Name1-tert-butyl-3-methylideneazetidine;ethane
SMILESC=C1CN(C(C)(C)C)C1.CC
InChIInChI=1S/C8H15N.C2H6/c1-7-5-9(6-7)8(2,3)4;1-2/h1,5-6H2,2-4H3;1-2H3
InChIKeyHJCXZHFQKSGXRP-UHFFFAOYSA-N
XLogP2.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylideneazetidine;ethane?
The IUPAC name of 1-tert-butyl-3-methylideneazetidine;ethane (CID 158494649) is 1-tert-butyl-3-methylideneazetidine;ethane.
What is the SMILES notation for 1-tert-butyl-3-methylideneazetidine;ethane?
The canonical SMILES for 1-tert-butyl-3-methylideneazetidine;ethane is C=C1CN(C(C)(C)C)C1.CC.
What is the InChIKey of 1-tert-butyl-3-methylideneazetidine;ethane?
The InChIKey is HJCXZHFQKSGXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6/c1-7-5-9(6-7)8(2,3)4;1-2/h1,5-6H2,2-4H3;1-2H3.
What are the key properties of 1-tert-butyl-3-methylideneazetidine;ethane?
1-tert-butyl-3-methylideneazetidine;ethane has a molecular weight of 155.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylideneazetidine;ethane is sourced from PubChem (CID 158494649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).