(2-butan-2-yl-1,3-dioxolan-4-yl)methanamine

C8H17NO2 — CID 82775210

IUPAC(2-butan-2-yl-1,3-dioxolan-4-yl)methanamine
SMILESCCC(C)C1OCC(CN)O1
InChIInChI=1S/C8H17NO2/c1-3-6(2)8-10-5-7(4-9)11-8/h6-8H,3-5,9H2,1-2H3
InChIKeyRZXREQONUCMTFC-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.73
Rot. Bonds3

About (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine

(2-butan-2-yl-1,3-dioxolan-4-yl)methanamine (PubChem CID 82775210) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(2-butan-2-yl-1,3-dioxolan-4-yl)methanamine
PubChem CID82775210
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2-butan-2-yl-1,3-dioxolan-4-yl)methanamine
SMILESCCC(C)C1OCC(CN)O1
InChIInChI=1S/C8H17NO2/c1-3-6(2)8-10-5-7(4-9)11-8/h6-8H,3-5,9H2,1-2H3
InChIKeyRZXREQONUCMTFC-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine (CID 82775210) is (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine is CCC(C)C1OCC(CN)O1.
What is the InChIKey of (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is RZXREQONUCMTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-3-6(2)8-10-5-7(4-9)11-8/h6-8H,3-5,9H2,1-2H3.
What are the key properties of (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine?
(2-butan-2-yl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 159.23 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butan-2-yl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 82775210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).