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

C11H19NO2 — CID 102647852

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine
SMILESCC1(C(N)C2=CCCCO2)CCCO1
InChIInChI=1S/C11H19NO2/c1-11(6-4-8-14-11)10(12)9-5-2-3-7-13-9/h5,10H,2-4,6-8,12H2,1H3
InChIKeyMRJQCNHXKZUSFD-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine (PubChem CID 102647852) 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-(2-methyloxolan-2-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine
PubChem CID102647852
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine
SMILESCC1(C(N)C2=CCCCO2)CCCO1
InChIInChI=1S/C11H19NO2/c1-11(6-4-8-14-11)10(12)9-5-2-3-7-13-9/h5,10H,2-4,6-8,12H2,1H3
InChIKeyMRJQCNHXKZUSFD-UHFFFAOYSA-N
XLogP1.58
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

3-Methyl-1-(2-methyloxolan-2-yl)but-2-en-1-amine
CID 80174280
Cyclohexen-1-yl-(2-methyloxolan-2-yl)methanamine
CID 80182216
3,4-dihydro-2H-pyran-6-yl(oxolan-2-yl)methanamine
CID 102647554
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 102647853
N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methyl]ethanamine
CID 102647854
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine
CID 102647903
1-(3,4-dihydro-2H-pyran-6-yl)-2-(oxolan-3-yl)ethanamine
CID 102648006
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methanamine
CID 102648034
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine
CID 102648052
1-(3,4-dihydro-2H-pyran-6-yl)-2-methoxy-2-methylbutan-1-amine
CID 102648095
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-methylbutan-1-amine
CID 102648099
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxy-2-ethylbutan-1-amine
CID 102648102

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine (CID 102647852) is 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine is CC1(C(N)C2=CCCCO2)CCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine?
The InChIKey is MRJQCNHXKZUSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-11(6-4-8-14-11)10(12)9-5-2-3-7-13-9/h5,10H,2-4,6-8,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine has a molecular weight of 197.28 g/mol, XLogP of 1.58, 2 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-(2-methyloxolan-2-yl)methanamine is sourced from PubChem (CID 102647852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).