(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

C8H17NO2 — CID 58287064

IUPAC(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC1OC(C)(C)OC1CN
InChIInChI=1S/C8H17NO2/c1-4-6-7(5-9)11-8(2,3)10-6/h6-7H,4-5,9H2,1-3H3
InChIKeyFEJJRKOQQQEHKK-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.88
Rot. Bonds2

About (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine

(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 58287064) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
PubChem CID58287064
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCCC1OC(C)(C)OC1CN
InChIInChI=1S/C8H17NO2/c1-4-6-7(5-9)11-8(2,3)10-6/h6-7H,4-5,9H2,1-3H3
InChIKeyFEJJRKOQQQEHKK-UHFFFAOYSA-N
XLogP0.88
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (CID 58287064) is (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is CCC1OC(C)(C)OC1CN.
What is the InChIKey of (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is FEJJRKOQQQEHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-4-6-7(5-9)11-8(2,3)10-6/h6-7H,4-5,9H2,1-3H3.
What are the key properties of (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
(5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 159.23 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethyl-2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 58287064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).