1-[2-(2-methylpentoxy)ethyl]pyrrolidine

C12H25NO — CID 138738452

IUPAC1-[2-(2-methylpentoxy)ethyl]pyrrolidine
SMILESCCCC(C)COCCN1CCCC1
InChIInChI=1S/C12H25NO/c1-3-6-12(2)11-14-10-9-13-7-4-5-8-13/h12H,3-11H2,1-2H3
InChIKeyKGEFVJFAFCILSM-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.54
Rot. Bonds7

About 1-[2-(2-methylpentoxy)ethyl]pyrrolidine

1-[2-(2-methylpentoxy)ethyl]pyrrolidine (PubChem CID 138738452) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-[2-(2-methylpentoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(2-methylpentoxy)ethyl]pyrrolidine
PubChem CID138738452
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-[2-(2-methylpentoxy)ethyl]pyrrolidine
SMILESCCCC(C)COCCN1CCCC1
InChIInChI=1S/C12H25NO/c1-3-6-12(2)11-14-10-9-13-7-4-5-8-13/h12H,3-11H2,1-2H3
InChIKeyKGEFVJFAFCILSM-UHFFFAOYSA-N
XLogP2.54
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.54
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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Related Compounds

1-(2-ethoxyethyl)piperidine
CID 22622871
1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine
CID 118883339
2-(2-methylpentoxy)ethanamine
CID 62343431
1-[2-(2-methylbutoxy)ethyl]piperidin-4-amine
CID 166169205
2-(2-methylpentoxy)ethoxysilane
CID 123408825
N-methyl-1-(3-pyrrolidin-1-ylpropoxy)propan-2-amine
CID 118883332
1,4,8,11-tetrakis(2-ethoxyethyl)-1,4,8,11-tetrazacyclotetradecane
CID 10529041
1-[2-[(2S)-2-phenylpropoxy]ethyl]piperidine
CID 141183256
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
1-[2-(2-methylpropoxy)ethyl]-4-pyrrolidin-1-ylazepane
CID 122139895
N-methyl-2-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 83045031

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpentoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(2-methylpentoxy)ethyl]pyrrolidine (CID 138738452) is 1-[2-(2-methylpentoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(2-methylpentoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(2-methylpentoxy)ethyl]pyrrolidine is CCCC(C)COCCN1CCCC1.
What is the InChIKey of 1-[2-(2-methylpentoxy)ethyl]pyrrolidine?
The InChIKey is KGEFVJFAFCILSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-3-6-12(2)11-14-10-9-13-7-4-5-8-13/h12H,3-11H2,1-2H3.
What are the key properties of 1-[2-(2-methylpentoxy)ethyl]pyrrolidine?
1-[2-(2-methylpentoxy)ethyl]pyrrolidine has a molecular weight of 199.34 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpentoxy)ethyl]pyrrolidine is sourced from PubChem (CID 138738452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).