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

C9H17N — CID 134202788

IUPAC1-propan-2-yl-2-propan-2-ylideneazetidine
SMILESCC(C)=C1CCN1C(C)C
InChIInChI=1S/C9H17N/c1-7(2)9-5-6-10(9)8(3)4/h8H,5-6H2,1-4H3
InChIKeyUMDWZCVJRAPQLN-UHFFFAOYSA-N
MW139.24 g/mol
LogP2.39
Rot. Bonds1

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

1-propan-2-yl-2-propan-2-ylideneazetidine (PubChem CID 134202788) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-propan-2-yl-2-propan-2-ylideneazetidine.

Molecular Properties

Compound Name1-propan-2-yl-2-propan-2-ylideneazetidine
PubChem CID134202788
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-propan-2-yl-2-propan-2-ylideneazetidine
SMILESCC(C)=C1CCN1C(C)C
InChIInChI=1S/C9H17N/c1-7(2)9-5-6-10(9)8(3)4/h8H,5-6H2,1-4H3
InChIKeyUMDWZCVJRAPQLN-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-2-propan-2-ylideneazetidine?
The IUPAC name of 1-propan-2-yl-2-propan-2-ylideneazetidine (CID 134202788) is 1-propan-2-yl-2-propan-2-ylideneazetidine.
What is the SMILES notation for 1-propan-2-yl-2-propan-2-ylideneazetidine?
The canonical SMILES for 1-propan-2-yl-2-propan-2-ylideneazetidine is CC(C)=C1CCN1C(C)C.
What is the InChIKey of 1-propan-2-yl-2-propan-2-ylideneazetidine?
The InChIKey is UMDWZCVJRAPQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)9-5-6-10(9)8(3)4/h8H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-2-propan-2-ylideneazetidine?
1-propan-2-yl-2-propan-2-ylideneazetidine has a molecular weight of 139.24 g/mol, XLogP of 2.39, 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-2-propan-2-ylideneazetidine is sourced from PubChem (CID 134202788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).