2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine

C12H23NO3 — CID 102673023

IUPAC2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCC2CCOC2)CO1
InChIInChI=1S/C12H23NO3/c1-12(2)15-8-11(9-16-12)13-5-3-10-4-6-14-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyRERWZGPFTAVZKL-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.15
Rot. Bonds4

About 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine

2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine (PubChem CID 102673023) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine
PubChem CID102673023
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine
SMILESCC1(C)OCC(NCCC2CCOC2)CO1
InChIInChI=1S/C12H23NO3/c1-12(2)15-8-11(9-16-12)13-5-3-10-4-6-14-7-10/h10-11,13H,3-9H2,1-2H3
InChIKeyRERWZGPFTAVZKL-UHFFFAOYSA-N
XLogP1.15
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine (CID 102673023) is 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine is CC1(C)OCC(NCCC2CCOC2)CO1.
What is the InChIKey of 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine?
The InChIKey is RERWZGPFTAVZKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2)15-8-11(9-16-12)13-5-3-10-4-6-14-7-10/h10-11,13H,3-9H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine?
2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine has a molecular weight of 229.32 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(oxolan-3-yl)ethyl]-1,3-dioxan-5-amine is sourced from PubChem (CID 102673023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).