N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine

C12H21NO2 — CID 115674383

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1=CCCOC1)C1CCCO1
InChIInChI=1S/C12H21NO2/c1-10(12-5-3-7-15-12)13-8-11-4-2-6-14-9-11/h4,10,12-13H,2-3,5-9H2,1H3
InChIKeySDNZPVUKBGGXML-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds4

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine (PubChem CID 115674383) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine
PubChem CID115674383
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine
SMILESCC(NCC1=CCCOC1)C1CCCO1
InChIInChI=1S/C12H21NO2/c1-10(12-5-3-7-15-12)13-8-11-4-2-6-14-9-11/h4,10,12-13H,2-3,5-9H2,1H3
InChIKeySDNZPVUKBGGXML-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.49
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

4-methyl-2-(4-methyl-3,6-dihydro-2H-pyran-6-yl)-1,2,3,6-tetrahydropyridine
CID 155432635
(2S,3S)-N,4-diethyl-2-methyl-3,6-dihydro-2H-pyran-3-amine;ethane
CID 177009350
(7S,7aS)-5,7-dimethyl-1,2,3,5,7,7a-hexahydropyrano[3,4-b]pyrrole;ethane
CID 177009638
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]ethanamine
CID 62078329
1-(cyclohexen-1-yl)-N-methyl-1-(oxolan-2-yl)methanamine
CID 62078853
N-[cyclohexen-1-yl(oxolan-2-yl)methyl]propan-1-amine
CID 62079044
1-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-3-[1-(oxolan-2-yl)ethyl]urea
CID 75388410
N,3-dimethyl-1-(oxolan-2-yl)but-2-en-1-amine
CID 79180103
N-ethyl-3-methyl-1-(oxolan-2-yl)but-2-en-1-amine
CID 79180266
3-methyl-1-(oxolan-2-yl)-N-propylbut-2-en-1-amine
CID 79180437
1-(cyclohexen-1-yl)-N-methyl-1-(5-methyloxolan-2-yl)methanamine
CID 81330839
N-[cyclohexen-1-yl-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330840

Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine (CID 115674383) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine is CC(NCC1=CCCOC1)C1CCCO1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine?
The InChIKey is SDNZPVUKBGGXML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-10(12-5-3-7-15-12)13-8-11-4-2-6-14-9-11/h4,10,12-13H,2-3,5-9H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxolan-2-yl)ethanamine is sourced from PubChem (CID 115674383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).