N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

C13H25NO2 — CID 115278837

IUPACN-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCCC(=CC1CCC(C)O1)CNCCOC
InChIInChI=1S/C13H25NO2/c1-4-12(10-14-7-8-15-3)9-13-6-5-11(2)16-13/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyMJKBKVOFPFGTRU-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.13
Rot. Bonds7

About N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine

N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (PubChem CID 115278837) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
PubChem CID115278837
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC NameN-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
SMILESCCC(=CC1CCC(C)O1)CNCCOC
InChIInChI=1S/C13H25NO2/c1-4-12(10-14-7-8-15-3)9-13-6-5-11(2)16-13/h9,11,13-14H,4-8,10H2,1-3H3
InChIKeyMJKBKVOFPFGTRU-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
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-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine (CID 115278837) is N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is CCC(=CC1CCC(C)O1)CNCCOC.
What is the InChIKey of N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
The InChIKey is MJKBKVOFPFGTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-4-12(10-14-7-8-15-3)9-13-6-5-11(2)16-13/h9,11,13-14H,4-8,10H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine?
N-(2-methoxyethyl)-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.13, 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-[(5-methyloxolan-2-yl)methylidene]butan-1-amine is sourced from PubChem (CID 115278837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).