N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine

C13H27NO2 — CID 105013507

IUPACN-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1COC(C)C1
InChIInChI=1S/C13H27NO2/c1-5-6-14-13(9-15-10(2)3)12-7-11(4)16-8-12/h10-14H,5-9H2,1-4H3
InChIKeyWSSABVKUEPYWFN-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.20
Rot. Bonds7

About N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine

N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine (PubChem CID 105013507) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
PubChem CID105013507
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine
SMILESCCCNC(COC(C)C)C1COC(C)C1
InChIInChI=1S/C13H27NO2/c1-5-6-14-13(9-15-10(2)3)12-7-11(4)16-8-12/h10-14H,5-9H2,1-4H3
InChIKeyWSSABVKUEPYWFN-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]hydrazine
CID 105323823
N-[1-(4-methylcyclohexyl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79575417
N-(1-cyclopentyl-2-propan-2-yloxyethyl)propan-1-amine
CID 79574942
1-(5-methyloxolan-3-yl)-N-propylpent-4-yn-1-amine
CID 115859664
N-[2-(4-methoxyphenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825858
N-[1-(5-methyloxolan-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 114825972
N-[2-(2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 114825874
N-[2-(5-chloro-2-fluorophenyl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 103052831
N-[cyclohexyl-(5-methyloxolan-3-yl)methyl]propan-1-amine
CID 114981755
N-[1-(5-methyloxolan-3-yl)-2-(3-methylphenyl)ethyl]propan-1-amine
CID 114825893
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-propan-2-yloxyethyl]propan-1-amine
CID 79574668
N-[2-(1-butan-2-ylpyrazol-3-yl)-1-(5-methyloxolan-3-yl)ethyl]propan-1-amine
CID 104989907

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The IUPAC name of N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine (CID 105013507) is N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine is CCCNC(COC(C)C)C1COC(C)C1.
What is the InChIKey of N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
The InChIKey is WSSABVKUEPYWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-5-6-14-13(9-15-10(2)3)12-7-11(4)16-8-12/h10-14H,5-9H2,1-4H3.
What are the key properties of N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine?
N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyloxolan-3-yl)-2-propan-2-yloxyethyl]propan-1-amine is sourced from PubChem (CID 105013507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).