N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

C15H32N2O2 — CID 81068645

IUPACN-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCN(C)CC1CCC(CNCC(C)C)O1
InChIInChI=1S/C15H32N2O2/c1-5-18-9-8-17(4)12-15-7-6-14(19-15)11-16-10-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyZVZJXDMPHVDETH-UHFFFAOYSA-N
MW272.43 g/mol
LogP1.75
Rot. Bonds10

About N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine

N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (PubChem CID 81068645) has the molecular formula C15H32N2O2 and a molecular weight of 272.43 g/mol. Its IUPAC name is N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
PubChem CID81068645
Molecular FormulaC15H32N2O2
Molecular Weight272.43 g/mol
Exact Mass272.25
IUPAC NameN-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCCN(C)CC1CCC(CNCC(C)C)O1
InChIInChI=1S/C15H32N2O2/c1-5-18-9-8-17(4)12-15-7-6-14(19-15)11-16-10-13(2)3/h13-16H,5-12H2,1-4H3
InChIKeyZVZJXDMPHVDETH-UHFFFAOYSA-N
XLogP1.75
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.43
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine (CID 81068645) is N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is CCOCCN(C)CC1CCC(CNCC(C)C)O1.
What is the InChIKey of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZVZJXDMPHVDETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O2/c1-5-18-9-8-17(4)12-15-7-6-14(19-15)11-16-10-13(2)3/h13-16H,5-12H2,1-4H3.
What are the key properties of N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 272.43 g/mol, XLogP of 1.75, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-ethoxyethyl(methyl)amino]methyl]oxolan-2-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81068645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).