(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine

C13H23NO2 — CID 79339666

IUPAC(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine
SMILESCC/C(=C/C1CCC=CO1)CNCCOC
InChIInChI=1S/C13H23NO2/c1-3-12(11-14-7-9-15-2)10-13-6-4-5-8-16-13/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3/b12-10-
InChIKeyMUSNVMCUHZJPGD-BENRWUELSA-N
MW225.33 g/mol
LogP2.25
Rot. Bonds7

About (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine

(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 79339666) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine
PubChem CID79339666
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine
SMILESCC/C(=C/C1CCC=CO1)CNCCOC
InChIInChI=1S/C13H23NO2/c1-3-12(11-14-7-9-15-2)10-13-6-4-5-8-16-13/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3/b12-10-
InChIKeyMUSNVMCUHZJPGD-BENRWUELSA-N
XLogP2.25
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.25
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 (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine (CID 79339666) is (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine is CC/C(=C/C1CCC=CO1)CNCCOC.
What is the InChIKey of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is MUSNVMCUHZJPGD-BENRWUELSA-N. The full InChI is InChI=1S/C13H23NO2/c1-3-12(11-14-7-9-15-2)10-13-6-4-5-8-16-13/h5,8,10,13-14H,3-4,6-7,9,11H2,1-2H3/b12-10-.
What are the key properties of (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine?
(2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 225.33 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3,4-dihydro-2H-pyran-2-ylmethylidene)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 79339666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).