N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine

C12H23NO2 — CID 115278791

IUPACN-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCCC(=CC1CCCO1)CNCCOC
InChIInChI=1S/C12H23NO2/c1-3-11(10-13-6-8-14-2)9-12-5-4-7-15-12/h9,12-13H,3-8,10H2,1-2H3
InChIKeySVOAUXDBDVAWPL-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.74
Rot. Bonds7

About N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine

N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 115278791) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID115278791
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCCC(=CC1CCCO1)CNCCOC
InChIInChI=1S/C12H23NO2/c1-3-11(10-13-6-8-14-2)9-12-5-4-7-15-12/h9,12-13H,3-8,10H2,1-2H3
InChIKeySVOAUXDBDVAWPL-UHFFFAOYSA-N
XLogP1.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 115278791) is N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine is CCC(=CC1CCCO1)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is SVOAUXDBDVAWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11(10-13-6-8-14-2)9-12-5-4-7-15-12/h9,12-13H,3-8,10H2,1-2H3.
What are the key properties of N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine?
N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 213.32 g/mol, XLogP of 1.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(oxolan-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 115278791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).