1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine

C18H23NO — CID 58104667

IUPAC1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine
SMILESCC[C@H](/N=C/c1cc(C(C)C)c(C)o1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-5-18(15-9-7-6-8-10-15)19-12-16-11-17(13(2)3)14(4)20-16/h6-13,18H,5H2,1-4H3/b19-12+/t18-/m0/s1
InChIKeyGAVACLDRYOUOOV-LPGQDOADSA-N
MW269.39 g/mol
LogP5.28
Rot. Bonds5

About 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine

1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine (PubChem CID 58104667) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine.

Molecular Properties

Compound Name1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine
PubChem CID58104667
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine
SMILESCC[C@H](/N=C/c1cc(C(C)C)c(C)o1)c1ccccc1
InChIInChI=1S/C18H23NO/c1-5-18(15-9-7-6-8-10-15)19-12-16-11-17(13(2)3)14(4)20-16/h6-13,18H,5H2,1-4H3/b19-12+/t18-/m0/s1
InChIKeyGAVACLDRYOUOOV-LPGQDOADSA-N
XLogP5.28
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500269.39
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine?
The IUPAC name of 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine (CID 58104667) is 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine.
What is the SMILES notation for 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine?
The canonical SMILES for 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine is CC[C@H](/N=C/c1cc(C(C)C)c(C)o1)c1ccccc1.
What is the InChIKey of 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine?
The InChIKey is GAVACLDRYOUOOV-LPGQDOADSA-N. The full InChI is InChI=1S/C18H23NO/c1-5-18(15-9-7-6-8-10-15)19-12-16-11-17(13(2)3)14(4)20-16/h6-13,18H,5H2,1-4H3/b19-12+/t18-/m0/s1.
What are the key properties of 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine?
1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine has a molecular weight of 269.39 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-4-propan-2-ylfuran-2-yl)-N-[(1S)-1-phenylpropyl]methanimine is sourced from PubChem (CID 58104667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).