1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

C13H23NO2 — CID 102647904

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(C1=CCCCO1)C1(C)CCCCO1
InChIInChI=1S/C13H23NO2/c1-13(8-4-6-10-16-13)12(14-2)11-7-3-5-9-15-11/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyAHGJRSLHGNRQTQ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.23
Rot. Bonds3

About 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine

1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (PubChem CID 102647904) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
PubChem CID102647904
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
SMILESCNC(C1=CCCCO1)C1(C)CCCCO1
InChIInChI=1S/C13H23NO2/c1-13(8-4-6-10-16-13)12(14-2)11-7-3-5-9-15-11/h7,12,14H,3-6,8-10H2,1-2H3
InChIKeyAHGJRSLHGNRQTQ-UHFFFAOYSA-N
XLogP2.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyloxan-2-yl)-N-propylprop-2-en-1-amine
CID 80683306
N-ethyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
CID 80684020
N-ethyl-3-methyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80684164
N-methyl-1-(2-methyloxan-2-yl)prop-2-en-1-amine
CID 80685201
N,3-dimethyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80685355
3-methyl-1-(2-methyloxan-2-yl)-N-propylbut-2-en-1-amine
CID 80685735
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine
CID 83033214
1-cyclohexyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647213
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]ethanamine
CID 102647214
N-[cyclohexyl(3,4-dihydro-2H-pyran-6-yl)methyl]propan-1-amine
CID 102647215
1-cyclopentyl-1-(3,4-dihydro-2H-pyran-6-yl)-N-methylmethanamine
CID 102647237
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(3-methylcyclohexyl)methanamine
CID 102647311

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine (CID 102647904) is 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine is CNC(C1=CCCCO1)C1(C)CCCCO1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
The InChIKey is AHGJRSLHGNRQTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(8-4-6-10-16-13)12(14-2)11-7-3-5-9-15-11/h7,12,14H,3-6,8-10H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.23, 3 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)-N-methyl-1-(2-methyloxan-2-yl)methanamine is sourced from PubChem (CID 102647904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).