N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine

C19H23N — CID 67702769

IUPACN-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine
SMILESC=C(C)c1ccc(C)c2ccc(/C=N/C(C)(C)C)c-2c1
InChIInChI=1S/C19H23N/c1-13(2)15-8-7-14(3)17-10-9-16(18(17)11-15)12-20-19(4,5)6/h7-12H,1H2,2-6H3/b20-12+
InChIKeySSTSRSIBSIOMIZ-UDWIEESQSA-N
MW265.40 g/mol
LogP5.35
Rot. Bonds2

About N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine

N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine (PubChem CID 67702769) has the molecular formula C19H23N and a molecular weight of 265.40 g/mol. Its IUPAC name is N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine.

Molecular Properties

Compound NameN-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine
PubChem CID67702769
Molecular FormulaC19H23N
Molecular Weight265.40 g/mol
Exact Mass265.18
IUPAC NameN-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine
SMILESC=C(C)c1ccc(C)c2ccc(/C=N/C(C)(C)C)c-2c1
InChIInChI=1S/C19H23N/c1-13(2)15-8-7-14(3)17-10-9-16(18(17)11-15)12-20-19(4,5)6/h7-12H,1H2,2-6H3/b20-12+
InChIKeySSTSRSIBSIOMIZ-UDWIEESQSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.40
LogP ≤ 55.35
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 N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine?
The IUPAC name of N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine (CID 67702769) is N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine.
What is the SMILES notation for N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine?
The canonical SMILES for N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine is C=C(C)c1ccc(C)c2ccc(/C=N/C(C)(C)C)c-2c1.
What is the InChIKey of N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine?
The InChIKey is SSTSRSIBSIOMIZ-UDWIEESQSA-N. The full InChI is InChI=1S/C19H23N/c1-13(2)15-8-7-14(3)17-10-9-16(18(17)11-15)12-20-19(4,5)6/h7-12H,1H2,2-6H3/b20-12+.
What are the key properties of N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine?
N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine has a molecular weight of 265.40 g/mol, XLogP of 5.35, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanimine is sourced from PubChem (CID 67702769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).