1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine

C12H25NO — CID 91022206

IUPAC1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine
SMILESCCCC1C(CC)OCC1(C)CNC
InChIInChI=1S/C12H25NO/c1-5-7-10-11(6-2)14-9-12(10,3)8-13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyULAFVTQPGAHLRJ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

About 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine

1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine (PubChem CID 91022206) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine
PubChem CID91022206
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine
SMILESCCCC1C(CC)OCC1(C)CNC
InChIInChI=1S/C12H25NO/c1-5-7-10-11(6-2)14-9-12(10,3)8-13-4/h10-11,13H,5-9H2,1-4H3
InChIKeyULAFVTQPGAHLRJ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 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 ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

rac-((2R,3S)-2-tert-butyloxolan-3-yl)methanamine
CID 95242260
[(2S,3R)-2-tert-butyloxolan-3-yl]methanamine
CID 75525007
N-[(2-ethyloxolan-3-yl)methyl]-2-fluoroethanamine
CID 105736888
N-[(2-ethyloxolan-3-yl)methyl]-3-fluoropropan-1-amine
CID 105736918
1-(2-ethyl-4,5-dimethyloxolan-3-yl)-N-methylmethanamine
CID 89099167
N-[(5-ethyloxolan-3-yl)methyl]propan-1-amine
CID 90984420
N-[(5-ethyl-3-methyloxolan-3-yl)methyl]pentan-2-amine
CID 91029644
N-[(3,5-dimethyl-4-propyloxolan-3-yl)methyl]-N-methylethanamine
CID 91341638
N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine
CID 91363302
1-(3,5-dimethyloxolan-3-yl)-N-methylmethanamine
CID 91547926
1-(3,5-dimethyl-4-propyloxolan-3-yl)-N-methylmethanamine
CID 91572209
1-(5-ethyl-4-propyloxolan-3-yl)-N-methylmethanamine
CID 91575488

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine (CID 91022206) is 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine is CCCC1C(CC)OCC1(C)CNC.
What is the InChIKey of 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine?
The InChIKey is ULAFVTQPGAHLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-7-10-11(6-2)14-9-12(10,3)8-13-4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine?
1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-3-methyl-4-propyloxolan-3-yl)-N-methylmethanamine is sourced from PubChem (CID 91022206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).