N-(1,3-dioxolan-2-ylmethyl)ethanamine

C6H13NO2 — CID 13193169

IUPACN-(1,3-dioxolan-2-ylmethyl)ethanamine
SMILESCCNCC1OCCO1
InChIInChI=1S/C6H13NO2/c1-2-7-5-6-8-3-4-9-6/h6-7H,2-5H2,1H3
InChIKeyGQUFPBBOYRWSIV-UHFFFAOYSA-N
MW131.18 g/mol
LogP-0.03
Rot. Bonds3

About N-(1,3-dioxolan-2-ylmethyl)ethanamine

N-(1,3-dioxolan-2-ylmethyl)ethanamine (PubChem CID 13193169) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethyl)ethanamine
PubChem CID13193169
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC NameN-(1,3-dioxolan-2-ylmethyl)ethanamine
SMILESCCNCC1OCCO1
InChIInChI=1S/C6H13NO2/c1-2-7-5-6-8-3-4-9-6/h6-7H,2-5H2,1H3
InChIKeyGQUFPBBOYRWSIV-UHFFFAOYSA-N
XLogP-0.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dioxolan-2-ylmethyl)ethanamine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethyl)ethanamine (CID 13193169) is N-(1,3-dioxolan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethyl)ethanamine is CCNCC1OCCO1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethyl)ethanamine?
The InChIKey is GQUFPBBOYRWSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-7-5-6-8-3-4-9-6/h6-7H,2-5H2,1H3.
What are the key properties of N-(1,3-dioxolan-2-ylmethyl)ethanamine?
N-(1,3-dioxolan-2-ylmethyl)ethanamine has a molecular weight of 131.18 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethyl)ethanamine is sourced from PubChem (CID 13193169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).