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

C11H19NO2 — CID 102648052

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)C2=CCCCO2)CCC1
InChIInChI=1S/C11H19NO2/c1-13-11(6-4-7-11)10(12)9-5-2-3-8-14-9/h5,10H,2-4,6-8,12H2,1H3
InChIKeyIRKGECGXFQGOHZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds3

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

3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine (PubChem CID 102648052) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine
PubChem CID102648052
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine
SMILESCOC1(C(N)C2=CCCCO2)CCC1
InChIInChI=1S/C11H19NO2/c1-13-11(6-4-7-11)10(12)9-5-2-3-8-14-9/h5,10H,2-4,6-8,12H2,1H3
InChIKeyIRKGECGXFQGOHZ-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclobutyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647501
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylpropan-1-amine
CID 102647780
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine
CID 102647852
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine
CID 102647903
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methanamine
CID 102648034
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclobutyl)-N-methylmethanamine
CID 102648053
N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methyl]ethanamine
CID 102648054
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
CID 102648063
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxypentan-1-amine
CID 102648066
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxyethanamine
CID 102648077
2-cyclopropyl-1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxyethanamine
CID 102648081
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylpropan-1-amine
CID 102648091

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine (CID 102648052) is 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine is COC1(C(N)C2=CCCCO2)CCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine?
The InChIKey is IRKGECGXFQGOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-13-11(6-4-7-11)10(12)9-5-2-3-8-14-9/h5,10H,2-4,6-8,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine has a molecular weight of 197.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine is sourced from PubChem (CID 102648052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).