1-tert-butyl-3-propan-2-ylideneazetidine

C10H19N — CID 176805104

IUPAC1-tert-butyl-3-propan-2-ylideneazetidine
SMILESCC(C)=C1CN(C(C)(C)C)C1
InChIInChI=1S/C10H19N/c1-8(2)9-6-11(7-9)10(3,4)5/h6-7H2,1-5H3
InChIKeyAMVVNERRAUXTBU-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.44
Rot. Bonds

About 1-tert-butyl-3-propan-2-ylideneazetidine

1-tert-butyl-3-propan-2-ylideneazetidine (PubChem CID 176805104) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 1-tert-butyl-3-propan-2-ylideneazetidine.

Molecular Properties

Compound Name1-tert-butyl-3-propan-2-ylideneazetidine
PubChem CID176805104
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name1-tert-butyl-3-propan-2-ylideneazetidine
SMILESCC(C)=C1CN(C(C)(C)C)C1
InChIInChI=1S/C10H19N/c1-8(2)9-6-11(7-9)10(3,4)5/h6-7H2,1-5H3
InChIKeyAMVVNERRAUXTBU-UHFFFAOYSA-N
XLogP2.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Tert-butyl-3-ethylideneazetidine
CID 102361734
1-Tert-butyl-3-(1-fluoroethylidene)azetidine
CID 157411999
1-Propan-2-yl-3-propan-2-ylideneazetidine
CID 22896259
1-Tert-butyl-3-methylideneazetidine
CID 58311563
1-(3-Methylbut-2-en-2-yl)azetidine
CID 155036778
1-Tert-butyl-3-methylideneazetidine;ethane
CID 158494649
1-Tert-butyl-3-(1-tert-butylazetidin-3-ylidene)azetidine
CID 176737740
1-Tert-butyl-3-propan-2-ylideneazetidine-2-thione
CID 15246522

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-propan-2-ylideneazetidine?
The IUPAC name of 1-tert-butyl-3-propan-2-ylideneazetidine (CID 176805104) is 1-tert-butyl-3-propan-2-ylideneazetidine.
What is the SMILES notation for 1-tert-butyl-3-propan-2-ylideneazetidine?
The canonical SMILES for 1-tert-butyl-3-propan-2-ylideneazetidine is CC(C)=C1CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-3-propan-2-ylideneazetidine?
The InChIKey is AMVVNERRAUXTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-8(2)9-6-11(7-9)10(3,4)5/h6-7H2,1-5H3.
What are the key properties of 1-tert-butyl-3-propan-2-ylideneazetidine?
1-tert-butyl-3-propan-2-ylideneazetidine has a molecular weight of 153.27 g/mol, XLogP of 2.44, 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-propan-2-ylideneazetidine is sourced from PubChem (CID 176805104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).