3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine

C17H28N2O — CID 134064277

IUPAC3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine
SMILESCC(C)c1cccc(OCCCC2C(C)NNC2C)c1
InChIInChI=1S/C17H28N2O/c1-12(2)15-7-5-8-16(11-15)20-10-6-9-17-13(3)18-19-14(17)4/h5,7-8,11-14,17-19H,6,9-10H2,1-4H3
InChIKeyDANCNCUTVUKJOK-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.47
Rot. Bonds6

About 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine

3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine (PubChem CID 134064277) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine.

Molecular Properties

Compound Name3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine
PubChem CID134064277
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine
SMILESCC(C)c1cccc(OCCCC2C(C)NNC2C)c1
InChIInChI=1S/C17H28N2O/c1-12(2)15-7-5-8-16(11-15)20-10-6-9-17-13(3)18-19-14(17)4/h5,7-8,11-14,17-19H,6,9-10H2,1-4H3
InChIKeyDANCNCUTVUKJOK-UHFFFAOYSA-N
XLogP3.47
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
2-(3-propan-2-ylphenoxy)ethanethiol
CID 21131503
6-(3-propan-2-ylphenoxy)hexan-1-ol
CID 103867881
ethane;2-(3-propan-2-ylphenoxy)ethanethiol
CID 144874001
2-(3-propan-2-ylphenoxy)ethanamine;hydrochloride
CID 178200701
2-[3-(3-propan-2-ylphenoxy)propyl]oxane
CID 123154741
2-methyl-1-[3-(3-propan-2-ylphenoxy)propyl]pyrrolidine
CID 91223187
1-bromo-3-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 63457183
2-methyl-5-[2-(3-propan-2-ylphenoxy)ethyl]oxolane
CID 123988638
1-bromo-4-[2-(3-propan-2-ylphenoxy)ethoxy]benzene
CID 60627673
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142
4-(3-propan-2-ylphenoxy)butanoyl chloride
CID 82041570

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine?
The IUPAC name of 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine (CID 134064277) is 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine.
What is the SMILES notation for 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine?
The canonical SMILES for 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine is CC(C)c1cccc(OCCCC2C(C)NNC2C)c1.
What is the InChIKey of 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine?
The InChIKey is DANCNCUTVUKJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)15-7-5-8-16(11-15)20-10-6-9-17-13(3)18-19-14(17)4/h5,7-8,11-14,17-19H,6,9-10H2,1-4H3.
What are the key properties of 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine?
3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine has a molecular weight of 276.42 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[3-(3-propan-2-ylphenoxy)propyl]pyrazolidine is sourced from PubChem (CID 134064277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).