3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine

C12H25NO — CID 105028412

IUPAC3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine
SMILESCCC(CC)CC(N)C1CCOC1C
InChIInChI=1S/C12H25NO/c1-4-10(5-2)8-12(13)11-6-7-14-9(11)3/h9-12H,4-8,13H2,1-3H3
InChIKeyIVWWNIDUPFLBCL-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds5

About 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine

3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine (PubChem CID 105028412) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine
PubChem CID105028412
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine
SMILESCCC(CC)CC(N)C1CCOC1C
InChIInChI=1S/C12H25NO/c1-4-10(5-2)8-12(13)11-6-7-14-9(11)3/h9-12H,4-8,13H2,1-3H3
InChIKeyIVWWNIDUPFLBCL-UHFFFAOYSA-N
XLogP2.57
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-ethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105028497
1-(2-methyloxolan-3-yl)decan-1-amine
CID 115831763
2-cyclobutyl-1-(2-methyloxolan-3-yl)ethanamine
CID 115863835
1-(2-methyloxolan-3-yl)pent-4-yn-1-amine
CID 115859572
[2-ethyl-1-(2-methyloxolan-3-yl)butyl]hydrazine
CID 105324024
[2-methyl-1-(2-methyloxolan-3-yl)butyl]hydrazine
CID 105325722
1-(2-methyloxolan-3-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanamine
CID 104991828
2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(2-methyloxolan-3-yl)ethanamine
CID 105019956
3-(difluoromethyl)-2-methyloxolane
CID 171762048
1-(2-methyloxolan-3-yl)butylhydrazine
CID 105282218
1-cyclohexyl-3-ethylpentan-1-amine
CID 82920637
[cyclopropyl-(2-methyloxolan-3-yl)methyl]hydrazine
CID 105314526

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
The IUPAC name of 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine (CID 105028412) is 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
The canonical SMILES for 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine is CCC(CC)CC(N)C1CCOC1C.
What is the InChIKey of 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
The InChIKey is IVWWNIDUPFLBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-10(5-2)8-12(13)11-6-7-14-9(11)3/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine?
3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-methyloxolan-3-yl)pentan-1-amine is sourced from PubChem (CID 105028412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).