2-methyl-3-(3-methylbut-2-enyl)azetidine

C9H17N — CID 121451106

IUPAC2-methyl-3-(3-methylbut-2-enyl)azetidine
SMILESCC(C)=CCC1CNC1C
InChIInChI=1S/C9H17N/c1-7(2)4-5-9-6-10-8(9)3/h4,8-10H,5-6H2,1-3H3
InChIKeyDONJQBFCZJBBJX-UHFFFAOYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds2

About 2-methyl-3-(3-methylbut-2-enyl)azetidine

2-methyl-3-(3-methylbut-2-enyl)azetidine (PubChem CID 121451106) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 2-methyl-3-(3-methylbut-2-enyl)azetidine.

Molecular Properties

Compound Name2-methyl-3-(3-methylbut-2-enyl)azetidine
PubChem CID121451106
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name2-methyl-3-(3-methylbut-2-enyl)azetidine
SMILESCC(C)=CCC1CNC1C
InChIInChI=1S/C9H17N/c1-7(2)4-5-9-6-10-8(9)3/h4,8-10H,5-6H2,1-3H3
InChIKeyDONJQBFCZJBBJX-UHFFFAOYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
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 2-methyl-3-(3-methylbut-2-enyl)azetidine?
The IUPAC name of 2-methyl-3-(3-methylbut-2-enyl)azetidine (CID 121451106) is 2-methyl-3-(3-methylbut-2-enyl)azetidine.
What is the SMILES notation for 2-methyl-3-(3-methylbut-2-enyl)azetidine?
The canonical SMILES for 2-methyl-3-(3-methylbut-2-enyl)azetidine is CC(C)=CCC1CNC1C.
What is the InChIKey of 2-methyl-3-(3-methylbut-2-enyl)azetidine?
The InChIKey is DONJQBFCZJBBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N/c1-7(2)4-5-9-6-10-8(9)3/h4,8-10H,5-6H2,1-3H3.
What are the key properties of 2-methyl-3-(3-methylbut-2-enyl)azetidine?
2-methyl-3-(3-methylbut-2-enyl)azetidine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylbut-2-enyl)azetidine is sourced from PubChem (CID 121451106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).