1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione

C14H24N2O3 — CID 106301495

IUPAC1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2(CN)CCOCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-3-13(4-2)9-11(17)16(12(13)18)14(10-15)5-7-19-8-6-14/h3-10,15H2,1-2H3
InChIKeyDHCDKDPTWVWAFC-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.06
Rot. Bonds4

About 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione

1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 106301495) has the molecular formula C14H24N2O3 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione
PubChem CID106301495
Molecular FormulaC14H24N2O3
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC Name1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(C2(CN)CCOCC2)C1=O
InChIInChI=1S/C14H24N2O3/c1-3-13(4-2)9-11(17)16(12(13)18)14(10-15)5-7-19-8-6-14/h3-10,15H2,1-2H3
InChIKeyDHCDKDPTWVWAFC-UHFFFAOYSA-N
XLogP1.06
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(aminomethyl)oxan-4-yl]-4,4-dimethylpiperidine-2,6-dione
CID 114170682
3,3-diethyl-1-[1-(hydroxymethyl)cyclopentyl]pyrrolidine-2,5-dione
CID 55082024
2-[4-(aminomethyl)oxan-4-yl]-5-ethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 106301472
2-[1-(aminomethyl)cyclopentyl]-2-azaspiro[4.4]nonane-1,3-dione
CID 63763206
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-4-methylcyclohexane-1-carbothioamide
CID 61124712
6-[4-(aminomethyl)oxan-4-yl]pyrrolo[3,4-b]pyridine-5,7-dione
CID 106301468
[4-(2,6-dimethylmorpholin-4-yl)oxan-4-yl]methanamine
CID 43608670
4-(aminomethyl)oxan-4-amine
CID 43608727
1-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-3-methylcyclohexane-1-carboxylic acid
CID 61291676
1-[4-(hydroxymethyl)oxan-4-yl]-3,4-dimethylpyrrolidine-2,5-dione
CID 106299559
3-ethyl-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 78924545
2-(3,3-diethyl-2,5-dioxopyrrolidin-1-yl)-2-methylbutanenitrile
CID 61124735

Frequently Asked Questions

What is the IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione (CID 106301495) is 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(C2(CN)CCOCC2)C1=O.
What is the InChIKey of 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is DHCDKDPTWVWAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-3-13(4-2)9-11(17)16(12(13)18)14(10-15)5-7-19-8-6-14/h3-10,15H2,1-2H3.
What are the key properties of 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione?
1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 268.36 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(aminomethyl)oxan-4-yl]-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 106301495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).