2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine

C19H37N — CID 146318088

IUPAC2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine
SMILESCCC(C)CCCC(CC)/N=C/C(=C(C)C)C(C)(C)C
InChIInChI=1S/C19H37N/c1-9-16(5)12-11-13-17(10-2)20-14-18(15(3)4)19(6,7)8/h14,16-17H,9-13H2,1-8H3/b20-14+
InChIKeyKIPZOWVKQWDTGK-XSFVSMFZSA-N
MW279.51 g/mol
LogP6.43
Rot. Bonds8

About 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine

2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine (PubChem CID 146318088) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine.

Molecular Properties

Compound Name2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine
PubChem CID146318088
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Name2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine
SMILESCCC(C)CCCC(CC)/N=C/C(=C(C)C)C(C)(C)C
InChIInChI=1S/C19H37N/c1-9-16(5)12-11-13-17(10-2)20-14-18(15(3)4)19(6,7)8/h14,16-17H,9-13H2,1-8H3/b20-14+
InChIKeyKIPZOWVKQWDTGK-XSFVSMFZSA-N
XLogP6.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine?
The IUPAC name of 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine (CID 146318088) is 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine.
What is the SMILES notation for 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine?
The canonical SMILES for 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine is CCC(C)CCCC(CC)/N=C/C(=C(C)C)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine?
The InChIKey is KIPZOWVKQWDTGK-XSFVSMFZSA-N. The full InChI is InChI=1S/C19H37N/c1-9-16(5)12-11-13-17(10-2)20-14-18(15(3)4)19(6,7)8/h14,16-17H,9-13H2,1-8H3/b20-14+.
What are the key properties of 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine?
2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine has a molecular weight of 279.51 g/mol, XLogP of 6.43, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-methyl-N-(7-methylnonan-3-yl)but-2-en-1-imine is sourced from PubChem (CID 146318088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).