3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine

C14H23N — CID 123441881

IUPAC3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine
SMILESCCC(C)=CC(=CC=C(C)C)C1CNC1
InChIInChI=1S/C14H23N/c1-5-12(4)8-13(7-6-11(2)3)14-9-15-10-14/h6-8,14-15H,5,9-10H2,1-4H3
InChIKeyAQDLDPGZWTVFEI-UHFFFAOYSA-N
MW205.34 g/mol
LogP3.45
Rot. Bonds4

About 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine

3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine (PubChem CID 123441881) has the molecular formula C14H23N and a molecular weight of 205.34 g/mol. Its IUPAC name is 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine.

Molecular Properties

Compound Name3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine
PubChem CID123441881
Molecular FormulaC14H23N
Molecular Weight205.34 g/mol
Exact Mass205.18
IUPAC Name3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine
SMILESCCC(C)=CC(=CC=C(C)C)C1CNC1
InChIInChI=1S/C14H23N/c1-5-12(4)8-13(7-6-11(2)3)14-9-15-10-14/h6-8,14-15H,5,9-10H2,1-4H3
InChIKeyAQDLDPGZWTVFEI-UHFFFAOYSA-N
XLogP3.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.34
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine?
The IUPAC name of 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine (CID 123441881) is 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine.
What is the SMILES notation for 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine?
The canonical SMILES for 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine is CCC(C)=CC(=CC=C(C)C)C1CNC1.
What is the InChIKey of 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine?
The InChIKey is AQDLDPGZWTVFEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N/c1-5-12(4)8-13(7-6-11(2)3)14-9-15-10-14/h6-8,14-15H,5,9-10H2,1-4H3.
What are the key properties of 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine?
3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine has a molecular weight of 205.34 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,7-dimethylnona-2,4,6-trien-5-yl)azetidine is sourced from PubChem (CID 123441881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).