1-(1,3-dioxolan-2-yl)-N-ethylethanamine

C7H15NO2 — CID 174559925

IUPAC1-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1OCCO1
InChIInChI=1S/C7H15NO2/c1-3-8-6(2)7-9-4-5-10-7/h6-8H,3-5H2,1-2H3
InChIKeyBLWRGJUFGOOUSN-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.36
Rot. Bonds3

About 1-(1,3-dioxolan-2-yl)-N-ethylethanamine

1-(1,3-dioxolan-2-yl)-N-ethylethanamine (PubChem CID 174559925) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-N-ethylethanamine.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-N-ethylethanamine
PubChem CID174559925
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name1-(1,3-dioxolan-2-yl)-N-ethylethanamine
SMILESCCNC(C)C1OCCO1
InChIInChI=1S/C7H15NO2/c1-3-8-6(2)7-9-4-5-10-7/h6-8H,3-5H2,1-2H3
InChIKeyBLWRGJUFGOOUSN-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cyclopropyl-N-ethylethanamine
CID 42056539
1-cyclopentyl-N-ethylethanamine
CID 60819244
(1R)-N-ethyl-1-[(1S,2R)-2-methylcyclobutyl]ethanamine
CID 70296617
2-heptan-4-yl-1,3-dioxolane
CID 57255481
1-(1,3-dioxolan-2-yl)ethanethiol
CID 123704944
1-(3,4-dihydro-1H-isochromen-1-yl)-N-ethylethanamine
CID 12536020
2-butan-2-yl-1,3-dioxane
CID 20509708
1-(1,3-dioxolan-2-yl)-3-ethoxy-N-ethylpropan-2-amine
CID 103546949
(1S)-N-ethyl-1-[(3S)-pyrrolidin-3-yl]ethanamine
CID 10034728
3-chloro-N-ethylpentan-2-amine
CID 131140480
1-(1,4-dioxan-2-yl)-N-ethyl-3-methylhexan-1-amine
CID 65352588
2-(2-methylpentan-3-yl)-1,3-dioxane
CID 170568150

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-N-ethylethanamine (CID 174559925) is 1-(1,3-dioxolan-2-yl)-N-ethylethanamine.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-N-ethylethanamine is CCNC(C)C1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-N-ethylethanamine?
The InChIKey is BLWRGJUFGOOUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-3-8-6(2)7-9-4-5-10-7/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(1,3-dioxolan-2-yl)-N-ethylethanamine?
1-(1,3-dioxolan-2-yl)-N-ethylethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-N-ethylethanamine is sourced from PubChem (CID 174559925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).