3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine

C10H19N — CID 170951062

IUPAC3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine
SMILESCC/C=C(\C)CN1CC(C)C1
InChIInChI=1S/C10H19N/c1-4-5-9(2)6-11-7-10(3)8-11/h5,10H,4,6-8H2,1-3H3/b9-5+
InChIKeyOJYMYTCPJRIBKB-WEVVVXLNSA-N
MW153.27 g/mol
LogP2.29
Rot. Bonds3

About 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine

3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine (PubChem CID 170951062) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine.

Molecular Properties

Compound Name3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine
PubChem CID170951062
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine
SMILESCC/C=C(\C)CN1CC(C)C1
InChIInChI=1S/C10H19N/c1-4-5-9(2)6-11-7-10(3)8-11/h5,10H,4,6-8H2,1-3H3/b9-5+
InChIKeyOJYMYTCPJRIBKB-WEVVVXLNSA-N
XLogP2.29
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
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 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine?
The IUPAC name of 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine (CID 170951062) is 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine.
What is the SMILES notation for 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine?
The canonical SMILES for 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine is CC/C=C(\C)CN1CC(C)C1.
What is the InChIKey of 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine?
The InChIKey is OJYMYTCPJRIBKB-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H19N/c1-4-5-9(2)6-11-7-10(3)8-11/h5,10H,4,6-8H2,1-3H3/b9-5+.
What are the key properties of 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine?
3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine has a molecular weight of 153.27 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(E)-2-methylpent-2-enyl]azetidine is sourced from PubChem (CID 170951062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).