N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine

C15H31NO — CID 91363302

IUPACN-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine
SMILESCCCC1C(CC)OCC1(C)CN(C)C(C)C
InChIInChI=1S/C15H31NO/c1-7-9-13-14(8-2)17-11-15(13,5)10-16(6)12(3)4/h12-14H,7-11H2,1-6H3
InChIKeyLUHUGWUBSFODMF-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.56
Rot. Bonds6

About N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine

N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine (PubChem CID 91363302) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine
PubChem CID91363302
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine
SMILESCCCC1C(CC)OCC1(C)CN(C)C(C)C
InChIInChI=1S/C15H31NO/c1-7-9-13-14(8-2)17-11-15(13,5)10-16(6)12(3)4/h12-14H,7-11H2,1-6H3
InChIKeyLUHUGWUBSFODMF-UHFFFAOYSA-N
XLogP3.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine (CID 91363302) is N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine is CCCC1C(CC)OCC1(C)CN(C)C(C)C.
What is the InChIKey of N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine?
The InChIKey is LUHUGWUBSFODMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-9-13-14(8-2)17-11-15(13,5)10-16(6)12(3)4/h12-14H,7-11H2,1-6H3.
What are the key properties of N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine?
N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine has a molecular weight of 241.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethyl-3-methyl-4-propyloxolan-3-yl)methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 91363302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).