3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine

C14H22N2O — CID 64892237

IUPAC3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine
SMILESCc1cc(C)cc(N(C)CC2(N)CCOC2)c1
InChIInChI=1S/C14H22N2O/c1-11-6-12(2)8-13(7-11)16(3)9-14(15)4-5-17-10-14/h6-8H,4-5,9-10,15H2,1-3H3
InChIKeyYDOJECCNCZPJQO-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.86
Rot. Bonds3

About 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine

3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine (PubChem CID 64892237) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine.

Molecular Properties

Compound Name3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine
PubChem CID64892237
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine
SMILESCc1cc(C)cc(N(C)CC2(N)CCOC2)c1
InChIInChI=1S/C14H22N2O/c1-11-6-12(2)8-13(7-11)16(3)9-14(15)4-5-17-10-14/h6-8H,4-5,9-10,15H2,1-3H3
InChIKeyYDOJECCNCZPJQO-UHFFFAOYSA-N
XLogP1.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine?
The IUPAC name of 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine (CID 64892237) is 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine.
What is the SMILES notation for 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine?
The canonical SMILES for 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine is Cc1cc(C)cc(N(C)CC2(N)CCOC2)c1.
What is the InChIKey of 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine?
The InChIKey is YDOJECCNCZPJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11-6-12(2)8-13(7-11)16(3)9-14(15)4-5-17-10-14/h6-8H,4-5,9-10,15H2,1-3H3.
What are the key properties of 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine?
3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine has a molecular weight of 234.34 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N,3,5-trimethylanilino)methyl]oxolan-3-amine is sourced from PubChem (CID 64892237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).