1-propan-2-yl-3-propan-2-ylideneazetidine

C9H17N — CID 22896259

IUPAC1-propan-2-yl-3-propan-2-ylideneazetidine
SMILESCC(C)=C1CN(C(C)C)C1
InChIInChI=1S/C9H17N/c1-7(2)9-5-10(6-9)8(3)4/h8H,5-6H2,1-4H3
InChIKeyLFDKGNZUDWGBBV-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.05
Rot. Bonds1

About 1-propan-2-yl-3-propan-2-ylideneazetidine

1-propan-2-yl-3-propan-2-ylideneazetidine (PubChem CID 22896259) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-propan-2-yl-3-propan-2-ylideneazetidine.

Molecular Properties

Compound Name1-propan-2-yl-3-propan-2-ylideneazetidine
PubChem CID22896259
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-propan-2-yl-3-propan-2-ylideneazetidine
SMILESCC(C)=C1CN(C(C)C)C1
InChIInChI=1S/C9H17N/c1-7(2)9-5-10(6-9)8(3)4/h8H,5-6H2,1-4H3
InChIKeyLFDKGNZUDWGBBV-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
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
3-Methylidene-1-propan-2-ylazetidine
CID 21064037
Methanamine;1-propan-2-yl-3-propan-2-ylideneazetidine
CID 90888145
N,2,3-trimethyl-N-propan-2-ylbut-2-en-1-amine
CID 118148097
3,4-Dimethyl-1-propan-2-yl-2,5-dihydropyrrole
CID 155014250
1-(3-Methylbut-2-en-2-yl)azetidine
CID 155036778
1-Tert-butyl-3-methylideneazetidine;ethane
CID 158494649
3-Ethylidene-1-propan-2-ylazetidine
CID 169928627
1-Tert-butyl-3-propan-2-ylideneazetidine
CID 176805104
2-(azetidin-3-ylidene)-N-methyl-N-propan-2-ylpropan-1-amine
CID 116679263
2-(azetidin-3-ylidene)-N-ethyl-N-propan-2-ylpropan-1-amine
CID 116679351

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-propan-2-ylideneazetidine?
The IUPAC name of 1-propan-2-yl-3-propan-2-ylideneazetidine (CID 22896259) is 1-propan-2-yl-3-propan-2-ylideneazetidine.
What is the SMILES notation for 1-propan-2-yl-3-propan-2-ylideneazetidine?
The canonical SMILES for 1-propan-2-yl-3-propan-2-ylideneazetidine is CC(C)=C1CN(C(C)C)C1.
What is the InChIKey of 1-propan-2-yl-3-propan-2-ylideneazetidine?
The InChIKey is LFDKGNZUDWGBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-5-10(6-9)8(3)4/h8H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-3-propan-2-ylideneazetidine?
1-propan-2-yl-3-propan-2-ylideneazetidine has a molecular weight of 139.24 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-propan-2-ylideneazetidine is sourced from PubChem (CID 22896259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).