1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

C13H23NO2 — CID 115742272

IUPAC1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCC2=CCCOC2)CCOCC1
InChIInChI=1S/C13H23NO2/c1-13(4-7-15-8-5-13)11-14-9-12-3-2-6-16-10-12/h3,14H,2,4-11H2,1H3
InChIKeyDUFLUBHWTFTWMJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.74
Rot. Bonds4

About 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine

1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (PubChem CID 115742272) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
PubChem CID115742272
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine
SMILESCC1(CNCC2=CCCOC2)CCOCC1
InChIInChI=1S/C13H23NO2/c1-13(4-7-15-8-5-13)11-14-9-12-3-2-6-16-10-12/h3,14H,2,4-11H2,1H3
InChIKeyDUFLUBHWTFTWMJ-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3,6-dihydro-2H-pyran-5-yl)ethyl]-3,3-dimethylbutan-1-amine;molecular hydrogen
CID 143543963
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methoxy-2,2-dimethylbutan-1-amine
CID 104624980
4-(methoxymethyl)-1-[[4-(methoxymethyl)piperidin-4-yl]methyl]-3,6-dihydro-2H-pyridine
CID 108122767
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]-3-ethylpentan-1-ol
CID 112353735
3-[(3,6-dihydro-2H-pyran-5-ylmethylamino)methyl]pentan-1-ol
CID 112353757
[4-[[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methyl]oxan-4-yl]methanamine
CID 113581620
4-(methoxymethyl)-1-[(4-methylpiperidin-4-yl)methyl]-3,6-dihydro-2H-pyridine
CID 113581632
1-[(4-ethylpiperidin-4-yl)methyl]-4-(methoxymethyl)-3,6-dihydro-2H-pyridine
CID 113581650
4-(Oxan-4-ylmethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404598
4-(3,3-Dimethylbutoxymethyl)-1,2,3,6-tetrahydropyridine
CID 114404622
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-3,3-dimethylbutan-1-amine
CID 115741816
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methoxybutan-1-amine
CID 115741842

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine (CID 115742272) is 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is CC1(CNCC2=CCCOC2)CCOCC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
The InChIKey is DUFLUBHWTFTWMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-13(4-7-15-8-5-13)11-14-9-12-3-2-6-16-10-12/h3,14H,2,4-11H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine?
1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine has a molecular weight of 225.33 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyran-5-yl)-N-[(4-methyloxan-4-yl)methyl]methanamine is sourced from PubChem (CID 115742272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).