N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine

C12H21NO2 — CID 115763812

IUPACN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine
SMILESC1=C(CCNC2CCOCC2)CCOC1
InChIInChI=1S/C12H21NO2/c1(11-2-7-14-8-3-11)6-13-12-4-9-15-10-5-12/h2,12-13H,1,3-10H2
InChIKeyAMYAQUKKRSTODI-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds4

About N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine (PubChem CID 115763812) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine.

Molecular Properties

Compound NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine
PubChem CID115763812
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine
SMILESC1=C(CCNC2CCOCC2)CCOC1
InChIInChI=1S/C12H21NO2/c1(11-2-7-14-8-3-11)6-13-12-4-9-15-10-5-12/h2,12-13H,1,3-10H2
InChIKeyAMYAQUKKRSTODI-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

N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4,4,4-trifluorobutan-2-amine
CID 115896002
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclobutanamine
CID 104005710
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]hex-5-en-2-amine
CID 104583559
N-(3,6-dihydro-2H-pyran-5-ylmethyl)cyclohexanamine
CID 115741763
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-5-methoxypentan-1-amine
CID 115741936
N-(3,6-dihydro-2H-pyran-5-ylmethyl)oxan-3-amine
CID 115742018
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-1-(oxan-4-yl)ethanamine
CID 115742322
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine
CID 115758147
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115763581
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]-1-methoxypropan-2-amine
CID 115763582
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]cyclopentanamine
CID 115763772
2-(3,6-dihydro-2H-pyran-4-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 115763781

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine?
The IUPAC name of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine (CID 115763812) is N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine.
What is the SMILES notation for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine?
The canonical SMILES for N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine is C1=C(CCNC2CCOCC2)CCOC1.
What is the InChIKey of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine?
The InChIKey is AMYAQUKKRSTODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1(11-2-7-14-8-3-11)6-13-12-4-9-15-10-5-12/h2,12-13H,1,3-10H2.
What are the key properties of N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine?
N-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine 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-[2-(3,6-dihydro-2H-pyran-4-yl)ethyl]oxan-4-amine is sourced from PubChem (CID 115763812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).