(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine

C9H15N — CID 137400368

IUPAC(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine
SMILES[H]/N=C1\CC[C@H]1C(C)=C(C)C
InChIInChI=1S/C9H15N/c1-6(2)7(3)8-4-5-9(8)10/h8,10H,4-5H2,1-3H3/b10-9+/t8-/m0/s1
InChIKeyATPILYNBJSOADI-VPOJCXOPSA-N
MW137.23 g/mol
LogP2.77
Rot. Bonds1

About (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine

(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine (PubChem CID 137400368) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine.

Molecular Properties

Compound Name(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine
PubChem CID137400368
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine
SMILES[H]/N=C1\CC[C@H]1C(C)=C(C)C
InChIInChI=1S/C9H15N/c1-6(2)7(3)8-4-5-9(8)10/h8,10H,4-5H2,1-3H3/b10-9+/t8-/m0/s1
InChIKeyATPILYNBJSOADI-VPOJCXOPSA-N
XLogP2.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine?
The IUPAC name of (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine (CID 137400368) is (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine.
What is the SMILES notation for (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine?
The canonical SMILES for (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine is [H]/N=C1\CC[C@H]1C(C)=C(C)C.
What is the InChIKey of (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine?
The InChIKey is ATPILYNBJSOADI-VPOJCXOPSA-N. The full InChI is InChI=1S/C9H15N/c1-6(2)7(3)8-4-5-9(8)10/h8,10H,4-5H2,1-3H3/b10-9+/t8-/m0/s1.
What are the key properties of (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine?
(2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine has a molecular weight of 137.23 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbut-2-en-2-yl)cyclobutan-1-imine is sourced from PubChem (CID 137400368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).