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

C13H23NO2 — CID 103559784

IUPAC1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1=COCCC1
InChIInChI=1S/C13H23NO2/c1-14-12(11-5-3-8-16-10-11)9-13(15-2)6-4-7-13/h10,12,14H,3-9H2,1-2H3
InChIKeyMTLGEDSCPSCQFR-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (PubChem CID 103559784) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
PubChem CID103559784
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine
SMILESCNC(CC1(OC)CCC1)C1=COCCC1
InChIInChI=1S/C13H23NO2/c1-14-12(11-5-3-8-16-10-11)9-13(15-2)6-4-7-13/h10,12,14H,3-9H2,1-2H3
InChIKeyMTLGEDSCPSCQFR-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
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,4-dimethylpent-4-en-2-amine
CID 103169030
1-(3-ethoxycyclobutyl)-N,3-dimethylbut-3-en-2-amine
CID 103169045
1-(3-ethoxycyclobutyl)-N-methyl-4-methylidenehexan-2-amine
CID 103169053
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
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3-ethoxycyclobutyl)ethanamine
CID 103169436
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)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine (CID 103559784) is 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine is CNC(CC1(OC)CCC1)C1=COCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
The InChIKey is MTLGEDSCPSCQFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-14-12(11-5-3-8-16-10-11)9-13(15-2)6-4-7-13/h10,12,14H,3-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine?
1-(3,4-dihydro-2H-pyran-5-yl)-2-(1-methoxycyclobutyl)-N-methylethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.23, 5 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-(1-methoxycyclobutyl)-N-methylethanamine is sourced from PubChem (CID 103559784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).