N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine

C13H27NO3 — CID 62446409

IUPACN-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCCOCCOCC1CCC(CNC(C)C)O1
InChIInChI=1S/C13H27NO3/c1-4-15-7-8-16-10-13-6-5-12(17-13)9-14-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyFEECHSPCYGIFHR-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds9

About N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine

N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine (PubChem CID 62446409) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
PubChem CID62446409
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine
SMILESCCOCCOCC1CCC(CNC(C)C)O1
InChIInChI=1S/C13H27NO3/c1-4-15-7-8-16-10-13-6-5-12(17-13)9-14-11(2)3/h11-14H,4-10H2,1-3H3
InChIKeyFEECHSPCYGIFHR-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
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-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine (CID 62446409) is N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine is CCOCCOCC1CCC(CNC(C)C)O1.
What is the InChIKey of N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
The InChIKey is FEECHSPCYGIFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-4-15-7-8-16-10-13-6-5-12(17-13)9-14-11(2)3/h11-14H,4-10H2,1-3H3.
What are the key properties of N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine?
N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-ethoxyethoxymethyl)oxolan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62446409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).