1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

C14H25NO2 — CID 103169435

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)C2=COCCC2)C1
InChIInChI=1S/C14H25NO2/c1-3-17-13-7-11(8-13)9-14(15-2)12-5-4-6-16-10-12/h10-11,13-15H,3-9H2,1-2H3
InChIKeyTUNGGKAIBPCTPO-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.47
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (PubChem CID 103169435) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
PubChem CID103169435
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
SMILESCCOC1CC(CC(NC)C2=COCCC2)C1
InChIInChI=1S/C14H25NO2/c1-3-17-13-7-11(8-13)9-14(15-2)12-5-4-6-16-10-12/h10-11,13-15H,3-9H2,1-2H3
InChIKeyTUNGGKAIBPCTPO-UHFFFAOYSA-N
XLogP2.47
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-ethyl-2-propan-2-yl-3,4-dihydro-2H-pyran-5-yl)-N-propan-2-ylcyclopropan-1-amine
CID 143811938
N-methyl-3-methylidene-1-(oxan-3-yl)pentan-1-amine
CID 66038290
1-(3,4-dihydro-2H-pyran-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029309
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029311
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163057
1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163059
N-[1-(cyclohexen-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163061
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163065
1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163067
N-[1-(cyclopenten-1-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103163069
1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103163072
1-(cyclohepten-1-yl)-2-(3-ethoxycyclobutyl)-N-ethylethanamine
CID 103163074

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine (CID 103169435) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine is CCOC1CC(CC(NC)C2=COCCC2)C1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
The InChIKey is TUNGGKAIBPCTPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-17-13-7-11(8-13)9-14(15-2)12-5-4-6-16-10-12/h10-11,13-15H,3-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.47, 6 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-(3-ethoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103169435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).