1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine

C19H37NO — CID 126561566

IUPAC1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine
SMILESCCN1CCCC1CCCOCC1CCC(C(C)C)CC1
InChIInChI=1S/C19H37NO/c1-4-20-13-5-7-19(20)8-6-14-21-15-17-9-11-18(12-10-17)16(2)3/h16-19H,4-15H2,1-3H3
InChIKeyQSZVDEYMPBYBMF-UHFFFAOYSA-N
MW295.51 g/mol
LogP4.73
Rot. Bonds8

About 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine

1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine (PubChem CID 126561566) has the molecular formula C19H37NO and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine.

Molecular Properties

Compound Name1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine
PubChem CID126561566
Molecular FormulaC19H37NO
Molecular Weight295.51 g/mol
Exact Mass295.29
IUPAC Name1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine
SMILESCCN1CCCC1CCCOCC1CCC(C(C)C)CC1
InChIInChI=1S/C19H37NO/c1-4-20-13-5-7-19(20)8-6-14-21-15-17-9-11-18(12-10-17)16(2)3/h16-19H,4-15H2,1-3H3
InChIKeyQSZVDEYMPBYBMF-UHFFFAOYSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine?
The IUPAC name of 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine (CID 126561566) is 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine.
What is the SMILES notation for 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine?
The canonical SMILES for 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine is CCN1CCCC1CCCOCC1CCC(C(C)C)CC1.
What is the InChIKey of 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine?
The InChIKey is QSZVDEYMPBYBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37NO/c1-4-20-13-5-7-19(20)8-6-14-21-15-17-9-11-18(12-10-17)16(2)3/h16-19H,4-15H2,1-3H3.
What are the key properties of 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine?
1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine has a molecular weight of 295.51 g/mol, XLogP of 4.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[3-[(4-propan-2-ylcyclohexyl)methoxy]propyl]pyrrolidine is sourced from PubChem (CID 126561566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).