2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine

C11H21NO3 — CID 117169026

IUPAC2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(CC2CCCO2)OCC(CCN)O1
InChIInChI=1S/C11H21NO3/c1-11(7-9-3-2-6-13-9)14-8-10(15-11)4-5-12/h9-10H,2-8,12H2,1H3
InChIKeySUKVOAOITYAKGT-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.04
Rot. Bonds4

About 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine

2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine (PubChem CID 117169026) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
PubChem CID117169026
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(CC2CCCO2)OCC(CCN)O1
InChIInChI=1S/C11H21NO3/c1-11(7-9-3-2-6-13-9)14-8-10(15-11)4-5-12/h9-10H,2-8,12H2,1H3
InChIKeySUKVOAOITYAKGT-UHFFFAOYSA-N
XLogP1.04
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-methyl-2-(oxan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169125
2-[2-[(1,1-dioxothian-2-yl)methyl]-2-methyl-1,3-dioxolan-4-yl]ethanamine
CID 117169128
2-(2-cyclohexyl-2-methyl-1,3-dioxolan-4-yl)ethanamine
CID 117170087
4-[[4-(2-aminoethyl)-2-methyl-1,3-dioxolan-2-yl]methyl]phenol
CID 117169658
2-[2-methyl-2-(oxolan-3-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117168537
2-[2-methyl-2-(thiolan-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168838
2-[2-methyl-2-(1-methylpyrrolidin-2-yl)-1,3-dioxolan-4-yl]ethanamine
CID 117168845
[(2R)-oxolan-2-yl]methanamine
CID 2734124
[1-(oxolan-2-ylmethyl)cyclooctyl]methanamine
CID 80603057
2-[2-methyl-2-(piperidin-2-ylmethyl)-1,3-dioxolan-4-yl]ethanol
CID 117169140
4-tert-butyl-1-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 55096392
(2S)-2-methyl-2-(oxan-2-ylmethyl)oxane
CID 102007923

Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine (CID 117169026) is 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine is CC1(CC2CCCO2)OCC(CCN)O1.
What is the InChIKey of 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is SUKVOAOITYAKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-11(7-9-3-2-6-13-9)14-8-10(15-11)4-5-12/h9-10H,2-8,12H2,1H3.
What are the key properties of 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine?
2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 215.29 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-2-(oxolan-2-ylmethyl)-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 117169026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).