(Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine

C14H21NO — CID 134896889

IUPAC(Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine
SMILESCCC/C=N\O[C@@H](CCC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-5-12-15-16-14(9-4-2)13-10-7-6-8-11-13/h6-8,10-12,14H,3-5,9H2,1-2H3/b15-12-/t14-/m0/s1
InChIKeyCJJOGTUYSOPLCJ-UZFBZYOGSA-N
MW219.33 g/mol
LogP4.33
Rot. Bonds7

About (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine

(Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine (PubChem CID 134896889) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine.

Molecular Properties

Compound Name(Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine
PubChem CID134896889
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name(Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine
SMILESCCC/C=N\O[C@@H](CCC)c1ccccc1
InChIInChI=1S/C14H21NO/c1-3-5-12-15-16-14(9-4-2)13-10-7-6-8-11-13/h6-8,10-12,14H,3-5,9H2,1-2H3/b15-12-/t14-/m0/s1
InChIKeyCJJOGTUYSOPLCJ-UZFBZYOGSA-N
XLogP4.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine?
The IUPAC name of (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine (CID 134896889) is (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine.
What is the SMILES notation for (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine?
The canonical SMILES for (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine is CCC/C=N\O[C@@H](CCC)c1ccccc1.
What is the InChIKey of (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine?
The InChIKey is CJJOGTUYSOPLCJ-UZFBZYOGSA-N. The full InChI is InChI=1S/C14H21NO/c1-3-5-12-15-16-14(9-4-2)13-10-7-6-8-11-13/h6-8,10-12,14H,3-5,9H2,1-2H3/b15-12-/t14-/m0/s1.
What are the key properties of (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine?
(Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine has a molecular weight of 219.33 g/mol, XLogP of 4.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[(1S)-1-phenylbutoxy]butan-1-imine is sourced from PubChem (CID 134896889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).