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

C11H19NO2 — CID 102648991

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-8-9(5-7-13-8)11(12)10-4-2-3-6-14-10/h4,8-9,11H,2-3,5-7,12H2,1H3
InChIKeyKZXRXMSUKTYVKP-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.43
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine (PubChem CID 102648991) 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-3-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine
PubChem CID102648991
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine
SMILESCC1OCCC1C(N)C1=CCCCO1
InChIInChI=1S/C11H19NO2/c1-8-9(5-7-13-8)11(12)10-4-2-3-6-14-10/h4,8-9,11H,2-3,5-7,12H2,1H3
InChIKeyKZXRXMSUKTYVKP-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine (CID 102648991) is 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine is CC1OCCC1C(N)C1=CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine?
The InChIKey is KZXRXMSUKTYVKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-8-9(5-7-13-8)11(12)10-4-2-3-6-14-10/h4,8-9,11H,2-3,5-7,12H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-3-yl)methanamine has a molecular weight of 197.28 g/mol, XLogP of 1.43, 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-3-yl)methanamine is sourced from PubChem (CID 102648991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).