[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone

C14H27N3O2 — CID 66256744

IUPAC[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-4-6-15-13-10-19-9-12(13)14(18)17-7-5-11(8-17)16(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyDGDLUCHNLOJRGN-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.16
Rot. Bonds5

About [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone

[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone (PubChem CID 66256744) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone.

Molecular Properties

Compound Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
PubChem CID66256744
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
SMILESCCCNC1COCC1C(=O)N1CCC(N(C)C)C1
InChIInChI=1S/C14H27N3O2/c1-4-6-15-13-10-19-9-12(13)14(18)17-7-5-11(8-17)16(2)3/h11-13,15H,4-10H2,1-3H3
InChIKeyDGDLUCHNLOJRGN-UHFFFAOYSA-N
XLogP0.16
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 114797463
[2-(hydroxymethyl)morpholin-4-yl]-[4-(propylamino)oxolan-3-yl]methanone
CID 81203463
[4-(ethylamino)oxolan-3-yl]-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 107217226
(4,4-diethylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256555
(4-ethyl-4-methylpiperidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256554
(4-methyl-1,4-diazepan-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66256881
[4-(diethylamino)piperidin-1-yl]-[4-(ethylamino)oxolan-3-yl]methanone
CID 66258113
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 114172275
[4-(propylamino)oxolan-3-yl]-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 66254425
(2-ethylpyrrolidin-1-yl)-[4-(propylamino)oxolan-3-yl]methanone
CID 66255960
N-cyclohexyl-N-methyl-4-(propylamino)oxolane-3-carboxamide
CID 66257070
1-[4-(propylamino)oxolane-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 66256153

Frequently Asked Questions

What is the IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The IUPAC name of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone (CID 66256744) is [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone.
What is the SMILES notation for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The canonical SMILES for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone is CCCNC1COCC1C(=O)N1CCC(N(C)C)C1.
What is the InChIKey of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
The InChIKey is DGDLUCHNLOJRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-6-15-13-10-19-9-12(13)14(18)17-7-5-11(8-17)16(2)3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone?
[3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone has a molecular weight of 269.39 g/mol, XLogP of 0.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(dimethylamino)pyrrolidin-1-yl]-[4-(propylamino)oxolan-3-yl]methanone is sourced from PubChem (CID 66256744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).