2-(2-methyl-1,3-dioxolan-4-yl)ethanamine

C6H13NO2 — CID 117169771

IUPAC2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
SMILESCC1OCC(CCN)O1
InChIInChI=1S/C6H13NO2/c1-5-8-4-6(9-5)2-3-7/h5-6H,2-4,7H2,1H3
InChIKeyDGWVCPQRZWDZBP-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.10
Rot. Bonds2

About 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine

2-(2-methyl-1,3-dioxolan-4-yl)ethanamine (PubChem CID 117169771) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
PubChem CID117169771
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name2-(2-methyl-1,3-dioxolan-4-yl)ethanamine
SMILESCC1OCC(CCN)O1
InChIInChI=1S/C6H13NO2/c1-5-8-4-6(9-5)2-3-7/h5-6H,2-4,7H2,1H3
InChIKeyDGWVCPQRZWDZBP-UHFFFAOYSA-N
XLogP0.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-Dioxolane-2-ethylamine
CID 79827
2-(2-Methyl-1,3-dioxolan-2-yl)ethanamine
CID 10942456
2-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]ethan-1-amine
CID 28293777
1,3-Dioxolane-2-propylamine
CID 78099
2-(1,3-Dioxolan-4-yl)ethanamine
CID 22061576
3,4-Methylenedioxy-n-methyl-butanamine
CID 68896685
3-(2-Methyl-1,3-dioxolan-2-yl)-1-propanamine
CID 560007
3,4-Methylenedioxy-methylbutanamine
CID 171855173
2-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-fluoroethan-1-amine
CID 165742744
[(4R,5R)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine
CID 9805868
[(4S,5S)-5-(aminomethyl)-2-methyl-1,3-dioxolan-4-yl]methanamine
CID 10103303
[(4S,5S)-5-(aminomethyl)-2-ethyl-1,3-dioxolan-4-yl]methanamine
CID 10374712

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine?
The IUPAC name of 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine (CID 117169771) is 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine.
What is the SMILES notation for 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine?
The canonical SMILES for 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine is CC1OCC(CCN)O1.
What is the InChIKey of 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine?
The InChIKey is DGWVCPQRZWDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-5-8-4-6(9-5)2-3-7/h5-6H,2-4,7H2,1H3.
What are the key properties of 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine?
2-(2-methyl-1,3-dioxolan-4-yl)ethanamine has a molecular weight of 131.18 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dioxolan-4-yl)ethanamine is sourced from PubChem (CID 117169771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).