2-(2-propyl-1,3-dioxolan-2-yl)ethanamine

C8H17NO2 — CID 14636093

IUPAC2-(2-propyl-1,3-dioxolan-2-yl)ethanamine
SMILESCCCC1(CCN)OCCO1
InChIInChI=1S/C8H17NO2/c1-2-3-8(4-5-9)10-6-7-11-8/h2-7,9H2,1H3
InChIKeyMAVOWRGLQHTXSS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds4

About 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine

2-(2-propyl-1,3-dioxolan-2-yl)ethanamine (PubChem CID 14636093) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2-propyl-1,3-dioxolan-2-yl)ethanamine
PubChem CID14636093
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(2-propyl-1,3-dioxolan-2-yl)ethanamine
SMILESCCCC1(CCN)OCCO1
InChIInChI=1S/C8H17NO2/c1-2-3-8(4-5-9)10-6-7-11-8/h2-7,9H2,1H3
InChIKeyMAVOWRGLQHTXSS-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine?
The IUPAC name of 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine (CID 14636093) is 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine?
The canonical SMILES for 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine is CCCC1(CCN)OCCO1.
What is the InChIKey of 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine?
The InChIKey is MAVOWRGLQHTXSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-8(4-5-9)10-6-7-11-8/h2-7,9H2,1H3.
What are the key properties of 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine?
2-(2-propyl-1,3-dioxolan-2-yl)ethanamine has a molecular weight of 159.23 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-propyl-1,3-dioxolan-2-yl)ethanamine is sourced from PubChem (CID 14636093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).