3-methylidene-2-(2-methylpropyl)azetidine

C8H15N — CID 91502166

IUPAC3-methylidene-2-(2-methylpropyl)azetidine
SMILESC=C1CNC1CC(C)C
InChIInChI=1S/C8H15N/c1-6(2)4-8-7(3)5-9-8/h6,8-9H,3-5H2,1-2H3
InChIKeyZQXKTLGPDAHGNM-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds2

About 3-methylidene-2-(2-methylpropyl)azetidine

3-methylidene-2-(2-methylpropyl)azetidine (PubChem CID 91502166) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-methylidene-2-(2-methylpropyl)azetidine.

Molecular Properties

Compound Name3-methylidene-2-(2-methylpropyl)azetidine
PubChem CID91502166
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-methylidene-2-(2-methylpropyl)azetidine
SMILESC=C1CNC1CC(C)C
InChIInChI=1S/C8H15N/c1-6(2)4-8-7(3)5-9-8/h6,8-9H,3-5H2,1-2H3
InChIKeyZQXKTLGPDAHGNM-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-4-fluoro-3-methylbut-3-enyl]azetidine
CID 166992081
2,5-dimethyl-N-propylhex-5-en-3-amine
CID 79179359
2,5-dimethyl-N-propan-2-ylhex-5-en-3-amine
CID 134994094
3-Methylidene-2-propylazetidine
CID 54262626
N,2,4-trimethylhex-1-en-3-amine
CID 79177496
N-ethyl-2,4-dimethylhex-1-en-3-amine
CID 79177722
N,2,5-trimethylhex-5-en-3-amine
CID 79179141
N,2,5-trimethylhex-1-en-3-amine
CID 79189735
2,5-dimethyl-N-propylhex-1-en-3-amine
CID 79189953
N-ethyl-2,4-dimethylpent-1-en-3-amine
CID 79190285
(3S)-N,2,5-trimethylhex-1-en-3-amine
CID 88572418
(3S)-N,2,5-trimethyl-4-methylidenehexan-3-amine
CID 89519261

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(2-methylpropyl)azetidine?
The IUPAC name of 3-methylidene-2-(2-methylpropyl)azetidine (CID 91502166) is 3-methylidene-2-(2-methylpropyl)azetidine.
What is the SMILES notation for 3-methylidene-2-(2-methylpropyl)azetidine?
The canonical SMILES for 3-methylidene-2-(2-methylpropyl)azetidine is C=C1CNC1CC(C)C.
What is the InChIKey of 3-methylidene-2-(2-methylpropyl)azetidine?
The InChIKey is ZQXKTLGPDAHGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c1-6(2)4-8-7(3)5-9-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of 3-methylidene-2-(2-methylpropyl)azetidine?
3-methylidene-2-(2-methylpropyl)azetidine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(2-methylpropyl)azetidine is sourced from PubChem (CID 91502166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).