1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine

C15H23N — CID 23252217

IUPAC1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine
SMILESCc1c(C)c(C)c(/C=N/C(C)C)c(C)c1C
InChIInChI=1S/C15H23N/c1-9(2)16-8-15-13(6)11(4)10(3)12(5)14(15)7/h8-9H,1-7H3/b16-8+
InChIKeyJTRWYDOWFTXUTH-LZYBPNLTSA-N
MW217.36 g/mol
LogP4.06
Rot. Bonds2

About 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine

1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine (PubChem CID 23252217) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine.

Molecular Properties

Compound Name1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine
PubChem CID23252217
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine
SMILESCc1c(C)c(C)c(/C=N/C(C)C)c(C)c1C
InChIInChI=1S/C15H23N/c1-9(2)16-8-15-13(6)11(4)10(3)12(5)14(15)7/h8-9H,1-7H3/b16-8+
InChIKeyJTRWYDOWFTXUTH-LZYBPNLTSA-N
XLogP4.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine?
The IUPAC name of 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine (CID 23252217) is 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine.
What is the SMILES notation for 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine?
The canonical SMILES for 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine is Cc1c(C)c(C)c(/C=N/C(C)C)c(C)c1C.
What is the InChIKey of 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine?
The InChIKey is JTRWYDOWFTXUTH-LZYBPNLTSA-N. The full InChI is InChI=1S/C15H23N/c1-9(2)16-8-15-13(6)11(4)10(3)12(5)14(15)7/h8-9H,1-7H3/b16-8+.
What are the key properties of 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine?
1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine has a molecular weight of 217.36 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3,4,5,6-pentamethylphenyl)-N-propan-2-ylmethanimine is sourced from PubChem (CID 23252217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).