[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

C13H24N2O2 — CID 63765952

IUPAC[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESNCCCC1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c14-7-1-3-12-4-2-8-15(12)13(16)11-5-9-17-10-6-11/h11-12H,1-10,14H2
InChIKeyRYASOIPRDWNZNE-UHFFFAOYSA-N
MW240.35 g/mol
LogP1.14
Rot. Bonds4

About [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone

[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (PubChem CID 63765952) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
PubChem CID63765952
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone
SMILESNCCCC1CCCN1C(=O)C1CCOCC1
InChIInChI=1S/C13H24N2O2/c14-7-1-3-12-4-2-8-15(12)13(16)11-5-9-17-10-6-11/h11-12H,1-10,14H2
InChIKeyRYASOIPRDWNZNE-UHFFFAOYSA-N
XLogP1.14
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-aminopropyl)pyrrolidin-1-yl]-pyrrolidin-1-ylmethanone
CID 79155943
[4-(aminomethyl)cyclohexyl]-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 62806429
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
[2-(3-bromopropyl)pyrrolidin-1-yl]-cyclopentylmethanone
CID 80676795
[2-(3-aminopropyl)pyrrolidin-1-yl]-(1,1-dioxothian-2-yl)methanone
CID 104522504
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
1-[2-(3-aminopropyl)pyrrolidin-1-yl]pentan-1-one
CID 63767295
2-(3-aminopropyl)-N-methylpiperidine-1-carboxamide
CID 82506005
2-(3-aminopropyl)-N-cyclopropylpyrrolidine-1-carboxamide
CID 63767696
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
cyclopropyl-[2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]pyrrolidin-1-yl]methanone
CID 62468618
1-[2-(3-aminopropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 63767297

Frequently Asked Questions

What is the IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The IUPAC name of [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone (CID 63765952) is [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is NCCCC1CCCN1C(=O)C1CCOCC1.
What is the InChIKey of [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
The InChIKey is RYASOIPRDWNZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-7-1-3-12-4-2-8-15(12)13(16)11-5-9-17-10-6-11/h11-12H,1-10,14H2.
What are the key properties of [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone?
[2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone has a molecular weight of 240.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-aminopropyl)pyrrolidin-1-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 63765952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).