1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

C14H25NO2 — CID 103559782

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)C1=COCCC1
InChIInChI=1S/C14H25NO2/c1-3-15-13(12-6-4-9-17-11-12)10-14(16-2)7-5-8-14/h11,13,15H,3-10H2,1-2H3
InChIKeyHXGFSYSCDKGMQJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds6

About 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine

1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (PubChem CID 103559782) 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)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
PubChem CID103559782
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine
SMILESCCNC(CC1(OC)CCC1)C1=COCCC1
InChIInChI=1S/C14H25NO2/c1-3-15-13(12-6-4-9-17-11-12)10-14(16-2)7-5-8-14/h11,13,15H,3-10H2,1-2H3
InChIKeyHXGFSYSCDKGMQJ-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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)-3-methoxy-3-methylbutan-1-amine
CID 103029310
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-3-methoxy-3-methylbutan-1-amine
CID 103029311
1-(3-ethoxycyclobutyl)-N-ethyl-4-methylpent-4-en-2-amine
CID 103169033
1-(3-ethoxycyclobutyl)-3-methyl-N-propylbut-3-en-2-amine
CID 103169044
1-(3-ethoxycyclobutyl)-N-ethyl-3-methylbut-3-en-2-amine
CID 103169049
1-(3-ethoxycyclobutyl)-N-ethyl-4-methylidenehexan-2-amine
CID 103169057
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 103169433
N-[1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethyl]propan-1-amine
CID 103169434
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)-N-methylethanamine
CID 103169435
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-ethylethanamine
CID 103169438
N-[2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)ethyl]propan-1-amine
CID 103169439

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine (CID 103559782) is 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is CCNC(CC1(OC)CCC1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
The InChIKey is HXGFSYSCDKGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-15-13(12-6-4-9-17-11-12)10-14(16-2)7-5-8-14/h11,13,15H,3-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.62, 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)-N-ethyl-2-(1-methoxycyclobutyl)ethanamine is sourced from PubChem (CID 103559782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).