1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine

C15H31NO — CID 114104266

IUPAC1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)C1CCOC1CC
InChIInChI=1S/C15H31NO/c1-5-9-16-14(11-12(4)6-2)13-8-10-17-15(13)7-3/h12-16H,5-11H2,1-4H3
InChIKeyDDNCOMGGDAWQTA-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds8

About 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine

1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine (PubChem CID 114104266) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
PubChem CID114104266
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine
SMILESCCCNC(CC(C)CC)C1CCOC1CC
InChIInChI=1S/C15H31NO/c1-5-9-16-14(11-12(4)6-2)13-8-10-17-15(13)7-3/h12-16H,5-11H2,1-4H3
InChIKeyDDNCOMGGDAWQTA-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

3-methyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 65328870
1-(3,4-dimethylcyclohexyl)-3-methyl-N-propylpentan-1-amine
CID 104989433
3-methyl-N-propyl-1-(2,2,3,3-tetramethylcyclopropyl)pentan-1-amine
CID 115846358
3-methyl-1-(2-methyloxolan-3-yl)-N-propylbut-3-en-1-amine
CID 105004284
N-ethyl-1-(2-ethyloxolan-3-yl)-4,4-dimethylpentan-1-amine
CID 114104284
3,5-dimethyl-1-(oxan-2-yl)-N-propylhexan-1-amine
CID 114201822
3-ethyl-1-(3-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 105028143
1-cyclooctyl-3-methyl-N-propylbutan-1-amine
CID 80611346
1-cyclopentyl-4-methoxy-3-methyl-N-propylbutan-1-amine
CID 105080973
3-ethyl-1-(oxolan-2-yl)-N-propylpentan-1-amine
CID 82923076
1-cycloheptyl-N-ethyl-3-methylpentan-1-amine
CID 65399965
2-(3,3-difluorocyclopentyl)-1-(2-ethyloxolan-3-yl)-N-methylethanamine
CID 114225798

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine?
The IUPAC name of 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine (CID 114104266) is 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine is CCCNC(CC(C)CC)C1CCOC1CC.
What is the InChIKey of 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine?
The InChIKey is DDNCOMGGDAWQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-9-16-14(11-12(4)6-2)13-8-10-17-15(13)7-3/h12-16H,5-11H2,1-4H3.
What are the key properties of 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine?
1-(2-ethyloxolan-3-yl)-3-methyl-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 1-(2-ethyloxolan-3-yl)-3-methyl-N-propylpentan-1-amine is sourced from PubChem (CID 114104266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).