1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine

C23H46N2O3 — CID 118339849

IUPAC1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine
SMILESCCCCCOCCC(CCCN1CCCC1)OCCOCCN1CCCC1
InChIInChI=1S/C23H46N2O3/c1-2-3-8-18-26-19-11-23(10-9-16-24-12-4-5-13-24)28-22-21-27-20-17-25-14-6-7-15-25/h23H,2-22H2,1H3
InChIKeyADXZHGIGXBVOGG-UHFFFAOYSA-N
MW398.63 g/mol
LogP3.96
Rot. Bonds18

About 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine

1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine (PubChem CID 118339849) has the molecular formula C23H46N2O3 and a molecular weight of 398.63 g/mol. Its IUPAC name is 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine.

Molecular Properties

Compound Name1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine
PubChem CID118339849
Molecular FormulaC23H46N2O3
Molecular Weight398.63 g/mol
Exact Mass398.35
IUPAC Name1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine
SMILESCCCCCOCCC(CCCN1CCCC1)OCCOCCN1CCCC1
InChIInChI=1S/C23H46N2O3/c1-2-3-8-18-26-19-11-23(10-9-16-24-12-4-5-13-24)28-22-21-27-20-17-25-14-6-7-15-25/h23H,2-22H2,1H3
InChIKeyADXZHGIGXBVOGG-UHFFFAOYSA-N
XLogP3.96
TPSA34.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.63
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2-decoxyethoxy)ethyl]piperidine
CID 175686195
1,3-didecoxyundecane
CID 142711236
1-[3-(2-hexan-3-yloxyethoxy)propyl]-4-methylpiperazine
CID 139481708
1-[3,4-bis(hexadec-9-enoxy)butyl]pyrrolidine
CID 68663182
1-[(14Z,17Z)-3-[(9Z,12Z)-octadeca-9,12-dienoxy]tricosa-14,17-dienyl]pyrrolidine
CID 70904795
1-[3-(2-ethoxyethoxy)propyl]pyrrolidine
CID 58400633
1-(4-octoxyhexoxy)nonane
CID 173430678
1-(4-pentylnonyl)piperidine
CID 68557490
4-(2-hexoxyethyl)morpholine
CID 3326674
4-[2-(1-heptoxy-3-piperidin-1-ylpropan-2-yl)oxyethoxy]butanoic acid
CID 58391235
1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]-1,4-diazepane
CID 104560345
bis(4-butyldecyl) 10-(4-piperidin-1-ylbutoxy)nonadecanedioate
CID 118403633

Frequently Asked Questions

What is the IUPAC name of 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine?
The IUPAC name of 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine (CID 118339849) is 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine.
What is the SMILES notation for 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine?
The canonical SMILES for 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine is CCCCCOCCC(CCCN1CCCC1)OCCOCCN1CCCC1.
What is the InChIKey of 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine?
The InChIKey is ADXZHGIGXBVOGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46N2O3/c1-2-3-8-18-26-19-11-23(10-9-16-24-12-4-5-13-24)28-22-21-27-20-17-25-14-6-7-15-25/h23H,2-22H2,1H3.
What are the key properties of 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine?
1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine has a molecular weight of 398.63 g/mol, XLogP of 3.96, 18 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-pentoxy-4-[2-(2-pyrrolidin-1-ylethoxy)ethoxy]hexyl]pyrrolidine is sourced from PubChem (CID 118339849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).