1-(4-propan-2-yloxybutyl)pyrrolidine

C11H23NO — CID 20742855

IUPAC1-(4-propan-2-yloxybutyl)pyrrolidine
SMILESCC(C)OCCCCN1CCCC1
InChIInChI=1S/C11H23NO/c1-11(2)13-10-6-5-9-12-7-3-4-8-12/h11H,3-10H2,1-2H3
InChIKeyATDQIPIFGWOSJZ-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.29
Rot. Bonds6

About 1-(4-propan-2-yloxybutyl)pyrrolidine

1-(4-propan-2-yloxybutyl)pyrrolidine (PubChem CID 20742855) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(4-propan-2-yloxybutyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-propan-2-yloxybutyl)pyrrolidine
PubChem CID20742855
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(4-propan-2-yloxybutyl)pyrrolidine
SMILESCC(C)OCCCCN1CCCC1
InChIInChI=1S/C11H23NO/c1-11(2)13-10-6-5-9-12-7-3-4-8-12/h11H,3-10H2,1-2H3
InChIKeyATDQIPIFGWOSJZ-UHFFFAOYSA-N
XLogP2.29
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.29
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

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CID 148670601
1-[4-(7-propan-2-yloxyheptyl)piperazin-1-yl]ethanone
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4-[4-(2-propan-2-yloxyethyl)-1,4-diazepan-1-yl]butan-1-amine
CID 54958260
4-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]butan-1-amine
CID 54958213
carbon dioxide;4-(hydroxymethyl)-1-(3-propan-2-yloxypropyl)piperidine-4-carboxylic acid;1-(3-propan-2-yloxypropyl)piperidine
CID 157308749
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
(3S)-1-(3-propan-2-yloxypropyl)piperidin-3-amine
CID 39221513
4-butan-2-yl-1-(3-propan-2-yloxypropyl)piperidine
CID 166128107
1-(5-propan-2-yloxypentyl)-4-(1-propan-2-ylpiperidin-4-yl)piperazine
CID 176568970
2-amino-1-[4-(3-propan-2-yloxypropyl)piperazin-1-yl]ethanone
CID 94265647
1,6-di(propan-2-yloxy)hexane
CID 10899702

Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-yloxybutyl)pyrrolidine?
The IUPAC name of 1-(4-propan-2-yloxybutyl)pyrrolidine (CID 20742855) is 1-(4-propan-2-yloxybutyl)pyrrolidine.
What is the SMILES notation for 1-(4-propan-2-yloxybutyl)pyrrolidine?
The canonical SMILES for 1-(4-propan-2-yloxybutyl)pyrrolidine is CC(C)OCCCCN1CCCC1.
What is the InChIKey of 1-(4-propan-2-yloxybutyl)pyrrolidine?
The InChIKey is ATDQIPIFGWOSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-11(2)13-10-6-5-9-12-7-3-4-8-12/h11H,3-10H2,1-2H3.
What are the key properties of 1-(4-propan-2-yloxybutyl)pyrrolidine?
1-(4-propan-2-yloxybutyl)pyrrolidine has a molecular weight of 185.31 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-yloxybutyl)pyrrolidine is sourced from PubChem (CID 20742855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).