1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine

C15H28ClNO — CID 57181488

IUPAC1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine
SMILESCC(CN1CCCC1)OC(Cl)C1(C)CCCCC1
InChIInChI=1S/C15H28ClNO/c1-13(12-17-10-6-7-11-17)18-14(16)15(2)8-4-3-5-9-15/h13-14H,3-12H2,1-2H3
InChIKeyYOHHBTPQTARMMF-UHFFFAOYSA-N
MW273.85 g/mol
LogP4.02
Rot. Bonds5

About 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine

1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine (PubChem CID 57181488) has the molecular formula C15H28ClNO and a molecular weight of 273.85 g/mol. Its IUPAC name is 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine
PubChem CID57181488
Molecular FormulaC15H28ClNO
Molecular Weight273.85 g/mol
Exact Mass273.19
IUPAC Name1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine
SMILESCC(CN1CCCC1)OC(Cl)C1(C)CCCCC1
InChIInChI=1S/C15H28ClNO/c1-13(12-17-10-6-7-11-17)18-14(16)15(2)8-4-3-5-9-15/h13-14H,3-12H2,1-2H3
InChIKeyYOHHBTPQTARMMF-UHFFFAOYSA-N
XLogP4.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.85
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine?
The IUPAC name of 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine (CID 57181488) is 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine.
What is the SMILES notation for 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine?
The canonical SMILES for 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine is CC(CN1CCCC1)OC(Cl)C1(C)CCCCC1.
What is the InChIKey of 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine?
The InChIKey is YOHHBTPQTARMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClNO/c1-13(12-17-10-6-7-11-17)18-14(16)15(2)8-4-3-5-9-15/h13-14H,3-12H2,1-2H3.
What are the key properties of 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine?
1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine has a molecular weight of 273.85 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[chloro-(1-methylcyclohexyl)methoxy]propyl]pyrrolidine is sourced from PubChem (CID 57181488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).