4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine

C13H25NO2 — CID 166813199

IUPAC4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine
SMILESCOCCN(CCCC=C1CC1)CCOC
InChIInChI=1S/C13H25NO2/c1-15-11-9-14(10-12-16-2)8-4-3-5-13-6-7-13/h5H,3-4,6-12H2,1-2H3
InChIKeyOUBUKTOEEFNUCL-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.08
Rot. Bonds10

About 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine

4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine (PubChem CID 166813199) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine
PubChem CID166813199
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine
SMILESCOCCN(CCCC=C1CC1)CCOC
InChIInChI=1S/C13H25NO2/c1-15-11-9-14(10-12-16-2)8-4-3-5-13-6-7-13/h5H,3-4,6-12H2,1-2H3
InChIKeyOUBUKTOEEFNUCL-UHFFFAOYSA-N
XLogP2.08
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.08
H-Bond Donors ≤ 50
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 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine (CID 166813199) is 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine is COCCN(CCCC=C1CC1)CCOC.
What is the InChIKey of 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine?
The InChIKey is OUBUKTOEEFNUCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-15-11-9-14(10-12-16-2)8-4-3-5-13-6-7-13/h5H,3-4,6-12H2,1-2H3.
What are the key properties of 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine?
4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 2.08, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropylidene-N,N-bis(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 166813199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).