3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine

C15H24N2O — CID 79927060

IUPAC3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine
SMILESCC1(C)CC(CN)(Nc2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H24N2O/c1-13(2)10-15(11-16,14(3,4)18-13)17-12-8-6-5-7-9-12/h5-9,17H,10-11,16H2,1-4H3
InChIKeyJICMMMQSFPRVAA-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.77
Rot. Bonds3

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

3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine (PubChem CID 79927060) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine
PubChem CID79927060
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine
SMILESCC1(C)CC(CN)(Nc2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H24N2O/c1-13(2)10-15(11-16,14(3,4)18-13)17-12-8-6-5-7-9-12/h5-9,17H,10-11,16H2,1-4H3
InChIKeyJICMMMQSFPRVAA-UHFFFAOYSA-N
XLogP2.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine?
The IUPAC name of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine (CID 79927060) is 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine is CC1(C)CC(CN)(Nc2ccccc2)C(C)(C)O1.
What is the InChIKey of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine?
The InChIKey is JICMMMQSFPRVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-13(2)10-15(11-16,14(3,4)18-13)17-12-8-6-5-7-9-12/h5-9,17H,10-11,16H2,1-4H3.
What are the key properties of 3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine?
3-(aminomethyl)-2,2,5,5-tetramethyl-N-phenyloxolan-3-amine has a molecular weight of 248.37 g/mol, XLogP of 2.77, 3 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-phenyloxolan-3-amine is sourced from PubChem (CID 79927060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).