4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine

C8H16N2O2 — CID 163964807

IUPAC4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine
SMILESC=NC1(N)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H16N2O2/c1-6(2)7(3,4)12-8(9,10-5)11-6/h5,9H2,1-4H3
InChIKeySKTAFDIVMQAMIY-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.86
Rot. Bonds1

About 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine

4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine (PubChem CID 163964807) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine
PubChem CID163964807
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine
SMILESC=NC1(N)OC(C)(C)C(C)(C)O1
InChIInChI=1S/C8H16N2O2/c1-6(2)7(3,4)12-8(9,10-5)11-6/h5,9H2,1-4H3
InChIKeySKTAFDIVMQAMIY-UHFFFAOYSA-N
XLogP0.86
TPSA56.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine?
The IUPAC name of 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine (CID 163964807) is 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine.
What is the SMILES notation for 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine?
The canonical SMILES for 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine is C=NC1(N)OC(C)(C)C(C)(C)O1.
What is the InChIKey of 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine?
The InChIKey is SKTAFDIVMQAMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(2)7(3,4)12-8(9,10-5)11-6/h5,9H2,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine?
4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine has a molecular weight of 172.23 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-2-(methylideneamino)-1,3-dioxolan-2-amine is sourced from PubChem (CID 163964807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).