1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine

C12H21NO2 — CID 102648053

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1(OC)CCC1
InChIInChI=1S/C12H21NO2/c1-13-11(10-6-3-4-9-15-10)12(14-2)7-5-8-12/h6,11,13H,3-5,7-9H2,1-2H3
InChIKeyMKOPFFXFUUHPSH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.84
Rot. Bonds4

About 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine

1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine (PubChem CID 102648053) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
PubChem CID102648053
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
SMILESCNC(C1=CCCCO1)C1(OC)CCC1
InChIInChI=1S/C12H21NO2/c1-13-11(10-6-3-4-9-15-10)12(14-2)7-5-8-12/h6,11,13H,3-5,7-9H2,1-2H3
InChIKeyMKOPFFXFUUHPSH-UHFFFAOYSA-N
XLogP1.84
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine (CID 102648053) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine is CNC(C1=CCCCO1)C1(OC)CCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
The InChIKey is MKOPFFXFUUHPSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-13-11(10-6-3-4-9-15-10)12(14-2)7-5-8-12/h6,11,13H,3-5,7-9H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.84, 4 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)-1-(1-methoxycyclobutyl)-N-methylmethanamine is sourced from PubChem (CID 102648053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).