N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine

C12H21NO2 — CID 115758147

IUPACN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine
SMILESCC1(NCC2=CCCOC2)CCOCC1
InChIInChI=1S/C12H21NO2/c1-12(4-7-14-8-5-12)13-9-11-3-2-6-15-10-11/h3,13H,2,4-10H2,1H3
InChIKeyXVQVIYBGLFNSKH-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.49
Rot. Bonds3

About N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine

N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine (PubChem CID 115758147) 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)-4-methyloxan-4-amine.

Molecular Properties

Compound NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine
PubChem CID115758147
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC NameN-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine
SMILESCC1(NCC2=CCCOC2)CCOCC1
InChIInChI=1S/C12H21NO2/c1-12(4-7-14-8-5-12)13-9-11-3-2-6-15-10-11/h3,13H,2,4-10H2,1H3
InChIKeyXVQVIYBGLFNSKH-UHFFFAOYSA-N
XLogP1.49
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine?
The IUPAC name of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine (CID 115758147) is N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine.
What is the SMILES notation for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine?
The canonical SMILES for N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine is CC1(NCC2=CCCOC2)CCOCC1.
What is the InChIKey of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine?
The InChIKey is XVQVIYBGLFNSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-12(4-7-14-8-5-12)13-9-11-3-2-6-15-10-11/h3,13H,2,4-10H2,1H3.
What are the key properties of N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine?
N-(3,6-dihydro-2H-pyran-5-ylmethyl)-4-methyloxan-4-amine has a molecular weight of 211.30 g/mol, XLogP of 1.49, 3 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)-4-methyloxan-4-amine is sourced from PubChem (CID 115758147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).