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

C6H13NO2 — CID 4122349

IUPAC(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(C)OCC(CN)O1
InChIInChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3
InChIKeyHXOYWCSTHVTLOW-UHFFFAOYSA-N
MW131.17 g/mol
LogP0.10
Rot. Bonds1

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

(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (PubChem CID 4122349) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
PubChem CID4122349
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine
SMILESCC1(C)OCC(CN)O1
InChIInChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3
InChIKeyHXOYWCSTHVTLOW-UHFFFAOYSA-N
XLogP0.10
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The IUPAC name of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine (CID 4122349) is (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine.
What is the SMILES notation for (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The canonical SMILES for (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is CC1(C)OCC(CN)O1.
What is the InChIKey of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
The InChIKey is HXOYWCSTHVTLOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2)8-4-5(3-7)9-6/h5H,3-4,7H2,1-2H3.
What are the key properties of (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine?
(2,2-dimethyl-1,3-dioxolan-4-yl)methanamine has a molecular weight of 131.17 g/mol, XLogP of 0.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethyl-1,3-dioxolan-4-yl)methanamine is sourced from PubChem (CID 4122349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).