N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine

C15H27NO2 — CID 83033214

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC2CCC=CO2)CCO1
InChIInChI=1S/C15H27NO2/c1-3-15(4-2)11-13(8-10-18-15)16-12-14-7-5-6-9-17-14/h6,9,13-14,16H,3-5,7-8,10-12H2,1-2H3
InChIKeyFIWYWCXCCPQJTG-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.01
Rot. Bonds5

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine (PubChem CID 83033214) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine
PubChem CID83033214
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine
SMILESCCC1(CC)CC(NCC2CCC=CO2)CCO1
InChIInChI=1S/C15H27NO2/c1-3-15(4-2)11-13(8-10-18-15)16-12-14-7-5-6-9-17-14/h6,9,13-14,16H,3-5,7-8,10-12H2,1-2H3
InChIKeyFIWYWCXCCPQJTG-UHFFFAOYSA-N
XLogP3.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine (CID 83033214) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine is CCC1(CC)CC(NCC2CCC=CO2)CCO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine?
The InChIKey is FIWYWCXCCPQJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-15(4-2)11-13(8-10-18-15)16-12-14-7-5-6-9-17-14/h6,9,13-14,16H,3-5,7-8,10-12H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine has a molecular weight of 253.39 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-2,2-diethyloxan-4-amine is sourced from PubChem (CID 83033214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).