3-[3-aminopropyl(methyl)amino]oxolan-2-one

C8H16N2O2 — CID 115319333

IUPAC3-[3-aminopropyl(methyl)amino]oxolan-2-one
SMILESCN(CCCN)C1CCOC1=O
InChIInChI=1S/C8H16N2O2/c1-10(5-2-4-9)7-3-6-12-8(7)11/h7H,2-6,9H2,1H3
InChIKeyJRNWNEXOFLQOEO-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.42
Rot. Bonds4

About 3-[3-aminopropyl(methyl)amino]oxolan-2-one

3-[3-aminopropyl(methyl)amino]oxolan-2-one (PubChem CID 115319333) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-[3-aminopropyl(methyl)amino]oxolan-2-one.

Molecular Properties

Compound Name3-[3-aminopropyl(methyl)amino]oxolan-2-one
PubChem CID115319333
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-[3-aminopropyl(methyl)amino]oxolan-2-one
SMILESCN(CCCN)C1CCOC1=O
InChIInChI=1S/C8H16N2O2/c1-10(5-2-4-9)7-3-6-12-8(7)11/h7H,2-6,9H2,1H3
InChIKeyJRNWNEXOFLQOEO-UHFFFAOYSA-N
XLogP-0.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(dimethylamino)oxolan-2-one
CID 22088506
3-[(4-aminophenyl)methyl-methylamino]oxolan-2-one
CID 43458265
methyl 2-[methyl-(2-oxooxolan-3-yl)amino]acetate
CID 60720902
3-[bis(trimethylsilyl)amino]oxolan-2-one
CID 140663774
3-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]oxolan-2-one
CID 47020410
3-(3-amino-N-ethylanilino)oxolan-2-one
CID 63230108
N'-methyl-N'-(2-methyloxolan-3-yl)propane-1,3-diamine
CID 82718003
N'-methyl-N'-(oxan-4-yl)butane-1,4-diamine
CID 43610795
(3S)-3-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]oxolan-2-one
CID 95899466
N-(2-oxooxolan-3-yl)tetradec-7-enehydrazide
CID 123904263
[2-(2,6-dimethyl-N-(2-oxooxolan-3-yl)anilino)-2-oxoethyl] acetate
CID 12796014
N'-cyclopropyl-N'-methylhexane-1,6-diamine
CID 43265095

Frequently Asked Questions

What is the IUPAC name of 3-[3-aminopropyl(methyl)amino]oxolan-2-one?
The IUPAC name of 3-[3-aminopropyl(methyl)amino]oxolan-2-one (CID 115319333) is 3-[3-aminopropyl(methyl)amino]oxolan-2-one.
What is the SMILES notation for 3-[3-aminopropyl(methyl)amino]oxolan-2-one?
The canonical SMILES for 3-[3-aminopropyl(methyl)amino]oxolan-2-one is CN(CCCN)C1CCOC1=O.
What is the InChIKey of 3-[3-aminopropyl(methyl)amino]oxolan-2-one?
The InChIKey is JRNWNEXOFLQOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-10(5-2-4-9)7-3-6-12-8(7)11/h7H,2-6,9H2,1H3.
What are the key properties of 3-[3-aminopropyl(methyl)amino]oxolan-2-one?
3-[3-aminopropyl(methyl)amino]oxolan-2-one has a molecular weight of 172.23 g/mol, XLogP of -0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-aminopropyl(methyl)amino]oxolan-2-one is sourced from PubChem (CID 115319333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).