N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine

C14H27NO2 — CID 104993666

IUPACN-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCC(C)O1
InChIInChI=1S/C14H27NO2/c1-3-15-13(14-9-6-11(2)17-14)8-7-12-5-4-10-16-12/h11-15H,3-10H2,1-2H3
InChIKeyLMTKLLHQCPDWTP-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.49
Rot. Bonds6

About N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine

N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine (PubChem CID 104993666) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
PubChem CID104993666
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
SMILESCCNC(CCC1CCCO1)C1CCC(C)O1
InChIInChI=1S/C14H27NO2/c1-3-15-13(14-9-6-11(2)17-14)8-7-12-5-4-10-16-12/h11-15H,3-10H2,1-2H3
InChIKeyLMTKLLHQCPDWTP-UHFFFAOYSA-N
XLogP2.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 104993527
1-(5-methyloxolan-2-yl)-4-(oxolan-2-yl)-N-propylbutan-1-amine
CID 104993230
1-(3,5-dimethylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104988708
N-ethyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)-3-(oxolan-2-yl)propan-1-amine
CID 65164618
1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 79088596
N-ethyl-1-(5-methyloxolan-2-yl)nonan-1-amine
CID 115835493
1-(4-butylcyclohexyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 104993550
N-ethyl-1-(5-methyloxolan-2-yl)hex-4-yn-1-amine
CID 105037340
N-ethyl-1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164506
N-ethyl-1-(oxolan-2-yl)heptan-3-amine
CID 79404378
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-N-ethyl-3-(oxolan-2-yl)propan-1-amine
CID 65164820
1-cycloheptyl-N-ethyl-2-(oxolan-2-yl)ethanamine
CID 65399101

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The IUPAC name of N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine (CID 104993666) is N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The canonical SMILES for N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine is CCNC(CCC1CCCO1)C1CCC(C)O1.
What is the InChIKey of N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
The InChIKey is LMTKLLHQCPDWTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-15-13(14-9-6-11(2)17-14)8-7-12-5-4-10-16-12/h11-15H,3-10H2,1-2H3.
What are the key properties of N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine?
N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(5-methyloxolan-2-yl)-3-(oxolan-2-yl)propan-1-amine is sourced from PubChem (CID 104993666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).