2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine

C8H18N2O2 — CID 69065201

IUPAC2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(C)OC(CN)C(CCN)O1
InChIInChI=1S/C8H18N2O2/c1-8(2)11-6(3-4-9)7(5-10)12-8/h6-7H,3-5,9-10H2,1-2H3
InChIKeyDIGJUXGVLGKOQG-UHFFFAOYSA-N
MW174.24 g/mol
LogP-0.19
Rot. Bonds3

About 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine

2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine (PubChem CID 69065201) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
PubChem CID69065201
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Name2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine
SMILESCC1(C)OC(CN)C(CCN)O1
InChIInChI=1S/C8H18N2O2/c1-8(2)11-6(3-4-9)7(5-10)12-8/h6-7H,3-5,9-10H2,1-2H3
InChIKeyDIGJUXGVLGKOQG-UHFFFAOYSA-N
XLogP-0.19
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The IUPAC name of 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine (CID 69065201) is 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine.
What is the SMILES notation for 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The canonical SMILES for 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine is CC1(C)OC(CN)C(CCN)O1.
What is the InChIKey of 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
The InChIKey is DIGJUXGVLGKOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O2/c1-8(2)11-6(3-4-9)7(5-10)12-8/h6-7H,3-5,9-10H2,1-2H3.
What are the key properties of 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine?
2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine has a molecular weight of 174.24 g/mol, XLogP of -0.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(aminomethyl)-2,2-dimethyl-1,3-dioxolan-4-yl]ethanamine is sourced from PubChem (CID 69065201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).