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

C12H21NO2 — CID 102647903

IUPAC3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine
SMILESCC1(C(N)C2=CCCCO2)CCCCO1
InChIInChI=1S/C12H21NO2/c1-12(7-3-5-9-15-12)11(13)10-6-2-4-8-14-10/h6,11H,2-5,7-9,13H2,1H3
InChIKeyXKDGTTUYPFPJEO-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.97
Rot. Bonds2

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

3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine (PubChem CID 102647903) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine
PubChem CID102647903
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine
SMILESCC1(C(N)C2=CCCCO2)CCCCO1
InChIInChI=1S/C12H21NO2/c1-12(7-3-5-9-15-12)11(13)10-6-2-4-8-14-10/h6,11H,2-5,7-9,13H2,1H3
InChIKeyXKDGTTUYPFPJEO-UHFFFAOYSA-N
XLogP1.97
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80684871
1-(2-Methyloxan-2-yl)prop-2-en-1-amine
CID 80685026
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine
CID 102647852
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 102647904
N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]ethanamine
CID 102647905
N-[3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methyl]propan-1-amine
CID 102647906
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methanamine
CID 102648034
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 102648035
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-methyloxan-2-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine (CID 102647903) is 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine is CC1(C(N)C2=CCCCO2)CCCCO1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine?
The InChIKey is XKDGTTUYPFPJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(7-3-5-9-15-12)11(13)10-6-2-4-8-14-10/h6,11H,2-5,7-9,13H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine has a molecular weight of 211.30 g/mol, XLogP of 1.97, 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-methyloxan-2-yl)methanamine is sourced from PubChem (CID 102647903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).