3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine

C12H24N2O — CID 79927429

IUPAC3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
SMILESC=CCNC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-14-12(9-13)8-10(2,3)15-11(12,4)5/h6,14H,1,7-9,13H2,2-5H3
InChIKeySLDFODSQPVXEMT-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.44
Rot. Bonds4

About 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine

3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine (PubChem CID 79927429) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
PubChem CID79927429
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine
SMILESC=CCNC1(CN)CC(C)(C)OC1(C)C
InChIInChI=1S/C12H24N2O/c1-6-7-14-12(9-13)8-10(2,3)15-11(12,4)5/h6,14H,1,7-9,13H2,2-5H3
InChIKeySLDFODSQPVXEMT-UHFFFAOYSA-N
XLogP1.44
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine (CID 79927429) is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine is C=CCNC1(CN)CC(C)(C)OC1(C)C.
What is the InChIKey of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
The InChIKey is SLDFODSQPVXEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-6-7-14-12(9-13)8-10(2,3)15-11(12,4)5/h6,14H,1,7-9,13H2,2-5H3.
What are the key properties of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine?
3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine has a molecular weight of 212.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-prop-2-enyloxolan-3-amine is sourced from PubChem (CID 79927429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).