N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine

C11H21NO2 — CID 62064601

IUPACN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-3-13-9-10(2)12-8-11-6-4-5-7-14-11/h5,7,10-12H,3-4,6,8-9H2,1-2H3
InChIKeyGGNCQKPNLJPNCN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.69
Rot. Bonds6

About N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine

N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine (PubChem CID 62064601) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine
PubChem CID62064601
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC NameN-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine
SMILESCCOCC(C)NCC1CCC=CO1
InChIInChI=1S/C11H21NO2/c1-3-13-9-10(2)12-8-11-6-4-5-7-14-11/h5,7,10-12H,3-4,6,8-9H2,1-2H3
InChIKeyGGNCQKPNLJPNCN-UHFFFAOYSA-N
XLogP1.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.69
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)-1-ethoxypropan-2-amine?
The IUPAC name of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine (CID 62064601) is N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine.
What is the SMILES notation for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine?
The canonical SMILES for N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine is CCOCC(C)NCC1CCC=CO1.
What is the InChIKey of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine?
The InChIKey is GGNCQKPNLJPNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-13-9-10(2)12-8-11-6-4-5-7-14-11/h5,7,10-12H,3-4,6,8-9H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine?
N-(3,4-dihydro-2H-pyran-2-ylmethyl)-1-ethoxypropan-2-amine has a molecular weight of 199.29 g/mol, XLogP of 1.69, 6 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)-1-ethoxypropan-2-amine is sourced from PubChem (CID 62064601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).