N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine

C13H25NO2 — CID 115278799

IUPACN-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCOCCNCC(=CC1CCCO1)C(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)12(10-14-6-8-15-3)9-13-5-4-7-16-13/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyUYXRRAXWGSRTAO-UHFFFAOYSA-N
MW227.35 g/mol
LogP1.98
Rot. Bonds7

About N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine

N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine (PubChem CID 115278799) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
PubChem CID115278799
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine
SMILESCOCCNCC(=CC1CCCO1)C(C)C
InChIInChI=1S/C13H25NO2/c1-11(2)12(10-14-6-8-15-3)9-13-5-4-7-16-13/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyUYXRRAXWGSRTAO-UHFFFAOYSA-N
XLogP1.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 51.98
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)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine (CID 115278799) is N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine is COCCNCC(=CC1CCCO1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
The InChIKey is UYXRRAXWGSRTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-11(2)12(10-14-6-8-15-3)9-13-5-4-7-16-13/h9,11,13-14H,4-8,10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine?
N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-methyl-2-(oxolan-2-ylmethylidene)butan-1-amine is sourced from PubChem (CID 115278799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).