(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

C14H27N3O2 — CID 115294891

IUPAC(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2(N)CCOCC2)C1
InChIInChI=1S/C14H27N3O2/c1-3-16(4-2)12-5-8-17(11-12)13(18)14(15)6-9-19-10-7-14/h12H,3-11,15H2,1-2H3
InChIKeyGJULGFNOFRQAPL-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.44
Rot. Bonds4

About (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone

(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 115294891) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID115294891
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)C2(N)CCOCC2)C1
InChIInChI=1S/C14H27N3O2/c1-3-16(4-2)12-5-8-17(11-12)13(18)14(15)6-9-19-10-7-14/h12H,3-11,15H2,1-2H3
InChIKeyGJULGFNOFRQAPL-UHFFFAOYSA-N
XLogP0.44
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-aminooxan-4-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 115294424
(1-aminocyclopropyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 65466413
(4-aminooxan-4-yl)-(3,4-dimethylpiperidin-1-yl)methanone
CID 115976998
(1-aminocyclohexyl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 60952931
(4-aminooxan-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 115293431
(4-aminooxan-4-yl)-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 115295111
(1-aminocyclopropyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 65464508
(4-aminooxan-4-yl)-(4-ethyl-3-methylpiperazin-1-yl)methanone
CID 113280783
(1-aminocyclopropyl)-[3-(diethylaminomethyl)pyrrolidin-1-yl]methanone
CID 119894837
1-[3-(diethylamino)pyrrolidine-1-carbonyl]-N'-hydroxycyclopropane-1-carboximidamide
CID 80593720
(4-aminooxan-4-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 115295112
1-[3-(diethylamino)pyrrolidine-1-carbonyl]cyclohexane-1-carbothioamide
CID 63514275

Frequently Asked Questions

What is the IUPAC name of (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 115294891) is (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)C2(N)CCOCC2)C1.
What is the InChIKey of (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is GJULGFNOFRQAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-3-16(4-2)12-5-8-17(11-12)13(18)14(15)6-9-19-10-7-14/h12H,3-11,15H2,1-2H3.
What are the key properties of (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 269.39 g/mol, XLogP of 0.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminooxan-4-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 115294891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).