[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone

C14H26N2O2 — CID 168813787

IUPAC[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESNCCCCCC1CCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C14H26N2O2/c15-8-3-1-2-5-12-7-9-16(11-12)14(17)13-6-4-10-18-13/h12-13H,1-11,15H2
InChIKeyKFNGFAHJXBRIFW-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.53
Rot. Bonds6

About [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone

[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 168813787) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
PubChem CID168813787
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
SMILESNCCCCCC1CCN(C(=O)C2CCCO2)C1
InChIInChI=1S/C14H26N2O2/c15-8-3-1-2-5-12-7-9-16(11-12)14(17)13-6-4-10-18-13/h12-13H,1-11,15H2
InChIKeyKFNGFAHJXBRIFW-UHFFFAOYSA-N
XLogP1.53
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(3R)-3-aminopyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 94339947
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone
CID 63263865
[3-(methylaminomethyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone;hydrochloride
CID 119260605
[3-(2-hydroxyethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 103855486
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114802188
[3-(6-aminohexyl)pyrrolidin-1-yl]-(thiolan-2-yl)methanone
CID 168813793
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631
[(3R)-3-(hydroxymethyl)piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 39243248
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[3-(2-chloroethyl)piperidin-1-yl]-(oxan-2-yl)methanone
CID 63395711
[4-(3-aminopropyl)-1,4-diazepan-1-yl]-(oxolan-2-yl)methanone
CID 43251431
[3-(2-bromoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114801433

Frequently Asked Questions

What is the IUPAC name of [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone (CID 168813787) is [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone is NCCCCCC1CCN(C(=O)C2CCCO2)C1.
What is the InChIKey of [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is KFNGFAHJXBRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-8-3-1-2-5-12-7-9-16(11-12)14(17)13-6-4-10-18-13/h12-13H,1-11,15H2.
What are the key properties of [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone?
[3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 254.37 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-aminopentyl)pyrrolidin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 168813787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).