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

C14H27NO2 — CID 116717301

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(C1=COCCC1)C(CC)OCC
InChIInChI=1S/C14H27NO2/c1-4-9-15-14(13(5-2)17-6-3)12-8-7-10-16-11-12/h11,13-15H,4-10H2,1-3H3
InChIKeyDXOTXHNNVVFZTF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.86
Rot. Bonds8

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

1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine (PubChem CID 116717301) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
PubChem CID116717301
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine
SMILESCCCNC(C1=COCCC1)C(CC)OCC
InChIInChI=1S/C14H27NO2/c1-4-9-15-14(13(5-2)17-6-3)12-8-7-10-16-11-12/h11,13-15H,4-10H2,1-3H3
InChIKeyDXOTXHNNVVFZTF-UHFFFAOYSA-N
XLogP2.86
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfonyl-N-propylpropan-1-amine
CID 105033129
[1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxypropyl]hydrazine
CID 105222718
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylbut-3-en-1-amine
CID 116660937
1-(3,4-dihydro-2H-pyran-5-yl)-N-propylnonan-1-amine
CID 105033094
1-(3,4-dihydro-2H-pyran-5-yl)-4-methoxy-N-propylpentan-1-amine
CID 105179221
1-(cycloocten-1-yl)-2-ethoxy-N-propylpentan-1-amine
CID 106654457
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056
N-[6-bicyclo[3.1.0]hexanyl(3,4-dihydro-2H-pyran-5-yl)methyl]propan-1-amine
CID 105033146
N-[3,4-dihydro-2H-pyran-5-yl-(2,6-dimethoxyphenyl)methyl]propan-1-amine
CID 105033460
N-[3,4-dihydro-2H-pyran-5-yl-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 105033405
N-[2-(cyclohexen-1-yl)-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 116662001
N-[3,4-dihydro-2H-pyran-5-yl-(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 113370548

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine (CID 116717301) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine is CCCNC(C1=COCCC1)C(CC)OCC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine?
The InChIKey is DXOTXHNNVVFZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-4-9-15-14(13(5-2)17-6-3)12-8-7-10-16-11-12/h11,13-15H,4-10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-ethoxy-N-propylbutan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.86, 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-propylbutan-1-amine is sourced from PubChem (CID 116717301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).