3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine

C17H29N — CID 129143303

IUPAC3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine
SMILESC=C(C)CC1(CC)CN(CC(/C=C/C)=C/CC)C1
InChIInChI=1S/C17H29N/c1-6-9-16(10-7-2)12-18-13-17(8-3,14-18)11-15(4)5/h6,9-10H,4,7-8,11-14H2,1-3,5H3/b9-6+,16-10+
InChIKeyZGGNNDSJATXEKY-FYGXEABWSA-N
MW247.43 g/mol
LogP4.58
Rot. Bonds7

About 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine

3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine (PubChem CID 129143303) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine.

Molecular Properties

Compound Name3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine
PubChem CID129143303
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine
SMILESC=C(C)CC1(CC)CN(CC(/C=C/C)=C/CC)C1
InChIInChI=1S/C17H29N/c1-6-9-16(10-7-2)12-18-13-17(8-3,14-18)11-15(4)5/h6,9-10H,4,7-8,11-14H2,1-3,5H3/b9-6+,16-10+
InChIKeyZGGNNDSJATXEKY-FYGXEABWSA-N
XLogP4.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine?
The IUPAC name of 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine (CID 129143303) is 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine.
What is the SMILES notation for 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine?
The canonical SMILES for 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine is C=C(C)CC1(CC)CN(CC(/C=C/C)=C/CC)C1.
What is the InChIKey of 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine?
The InChIKey is ZGGNNDSJATXEKY-FYGXEABWSA-N. The full InChI is InChI=1S/C17H29N/c1-6-9-16(10-7-2)12-18-13-17(8-3,14-18)11-15(4)5/h6,9-10H,4,7-8,11-14H2,1-3,5H3/b9-6+,16-10+.
What are the key properties of 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine?
3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine has a molecular weight of 247.43 g/mol, XLogP of 4.58, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-(2-methylprop-2-enyl)-1-[(E)-2-[(E)-prop-1-enyl]pent-2-enyl]azetidine is sourced from PubChem (CID 129143303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).