1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine

C15H29NO2 — CID 116760251

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine
SMILESCCNC(C1=COCCC1)C(CC)(CC)OCC
InChIInChI=1S/C15H29NO2/c1-5-15(6-2,18-8-4)14(16-7-3)13-10-9-11-17-12-13/h12,14,16H,5-11H2,1-4H3
InChIKeyDYZMBEOPDDZJLX-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.25
Rot. Bonds8

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine

1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine (PubChem CID 116760251) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine
PubChem CID116760251
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine
SMILESCCNC(C1=COCCC1)C(CC)(CC)OCC
InChIInChI=1S/C15H29NO2/c1-5-15(6-2,18-8-4)14(16-7-3)13-10-9-11-17-12-13/h12,14,16H,5-11H2,1-4H3
InChIKeyDYZMBEOPDDZJLX-UHFFFAOYSA-N
XLogP3.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methylidene-1-(2-methyloxolan-2-yl)-N-propylpentan-1-amine
CID 80173952
N-ethyl-2-methyl-1-(2-methyloxolan-2-yl)prop-2-en-1-amine
CID 80174410
N-ethyl-3-methyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174421
1-(2-methyloxolan-2-yl)-N-propylhex-5-en-1-amine
CID 80174532
2-methyl-1-(2-methyloxolan-2-yl)-N-propylprop-2-en-1-amine
CID 80174715
N,3-dimethyl-1-(2-methyloxolan-2-yl)but-3-en-1-amine
CID 80174793
N-ethyl-1-(2-methyloxolan-2-yl)hex-5-en-1-amine
CID 80174806
N-ethyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80174906
N,2-dimethyl-1-(2-methyloxolan-2-yl)prop-2-en-1-amine
CID 80174972
N-methyl-3-methylidene-1-(2-methyloxolan-2-yl)pentan-1-amine
CID 80175079
3-methyl-1-(2-methyloxolan-2-yl)-N-propylbut-3-en-1-amine
CID 80175109
N-[cyclohepten-1-yl-(2-methyloxolan-2-yl)methyl]ethanamine
CID 80181284

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine (CID 116760251) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine is CCNC(C1=COCCC1)C(CC)(CC)OCC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine?
The InChIKey is DYZMBEOPDDZJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-5-15(6-2,18-8-4)14(16-7-3)13-10-9-11-17-12-13/h12,14,16H,5-11H2,1-4H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 3.25, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N,2-diethylbutan-1-amine is sourced from PubChem (CID 116760251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).