3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine

C15H31NO — CID 105028143

IUPAC3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)C1OCCC1C
InChIInChI=1S/C15H31NO/c1-5-9-16-14(11-13(6-2)7-3)15-12(4)8-10-17-15/h12-16H,5-11H2,1-4H3
InChIKeyJNRHYBIDYUEKAG-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine

3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine (PubChem CID 105028143) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
PubChem CID105028143
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)C1OCCC1C
InChIInChI=1S/C15H31NO/c1-5-9-16-14(11-13(6-2)7-3)15-12(4)8-10-17-15/h12-16H,5-11H2,1-4H3
InChIKeyJNRHYBIDYUEKAG-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methoxy-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105008827
2-methyl-1-(3-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 105017391
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076
3-ethyl-1-(3-methyloxolan-2-yl)pentan-1-amine
CID 105028497
N-[(3-methyloxolan-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 115855860
N-[2-(2,4-difluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 115824180
3-cyclopropyl-N-ethyl-1-(3-methyloxolan-2-yl)propan-1-amine
CID 104994998
N-[2-(3-chloro-4-pyridinyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 112655711
N-[2-(3-bromo-5-fluorophenyl)-1-(3-methyloxolan-2-yl)ethyl]propan-1-amine
CID 105015553
N-[(3,5-dimethoxyphenyl)-(3-methyloxolan-2-yl)methyl]propan-1-amine
CID 105013583
1-(3-methyloxolan-2-yl)pentylhydrazine
CID 105293857
3-ethyl-1-(3-ethylcyclopentyl)-N-propylpentan-1-amine
CID 82922992

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine (CID 105028143) is 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine is CCCNC(CC(CC)CC)C1OCCC1C.
What is the InChIKey of 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine?
The InChIKey is JNRHYBIDYUEKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-9-16-14(11-13(6-2)7-3)15-12(4)8-10-17-15/h12-16H,5-11H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine?
3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 105028143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).