1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine

C13H25NO2 — CID 102648061

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(C1=CCCCO1)C(CC)OCC
InChIInChI=1S/C13H25NO2/c1-4-11(15-6-3)13(14-5-2)12-9-7-8-10-16-12/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyRDAZSFKGJBVKBH-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.47
Rot. Bonds7

About 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine (PubChem CID 102648061) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
PubChem CID102648061
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine
SMILESCCNC(C1=CCCCO1)C(CC)OCC
InChIInChI=1S/C13H25NO2/c1-4-11(15-6-3)13(14-5-2)12-9-7-8-10-16-12/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyRDAZSFKGJBVKBH-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxybutan-1-ol
CID 102654872
1-(2,3-dihydrofuran-5-yl)-N-ethyl-2-methoxybutan-1-amine
CID 102652185
1-(3,4-dihydro-2H-pyran-6-yl)-2-methyl-N-propylbutan-1-amine
CID 102647447
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N,3,3-trimethylbutan-1-amine
CID 102648088
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-methylbutan-1-amine
CID 102647187
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
CID 102648063
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2-methylsulfonylpropan-1-amine
CID 102649580
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 102647225
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
1-(3,4-dihydro-2H-pyran-6-yl)-N-ethyl-3-propoxypropan-1-amine
CID 102648757
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-N-propylpropan-1-amine
CID 102647801
1-(3,4-dihydro-2H-pyran-6-yl)-N,N',N'-triethylpropane-1,3-diamine
CID 102647764

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine (CID 102648061) is 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine is CCNC(C1=CCCCO1)C(CC)OCC.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine?
The InChIKey is RDAZSFKGJBVKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-11(15-6-3)13(14-5-2)12-9-7-8-10-16-12/h9,11,13-14H,4-8,10H2,1-3H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine?
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-N-ethylbutan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.47, 7 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-6-yl)-2-ethoxy-N-ethylbutan-1-amine is sourced from PubChem (CID 102648061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).